🧪 Pirika HSP
Sphere:
Single
Double
Axis:
3D
4D-1
4D-2
4D-3
Radius:
RaVo:
SRd
3D: [
手前: 2*δD
,
右: δP
,
上: δH
]
Reset View
Rotate
📷 Screenshot
No. Solvent δD δP δH δHD δHA Score RED MVol CAS SMILES Remarks 52 benzene 18.4 1.5 2 4.41 0.64 1 - 89.5 71-43-2 C1=CC=CC=C1 - 697 p-xylene 17.9 3 1.5 4.54 4.52 1 - 123.3 106-42-3 CC1=CC=C(C)C=C1 - 122 carbon tetrachloride 17.8 0.1 0.6 3.96 0.64 1 - 97.1 56-23-5 ClC(Cl)(Cl)Cl - 637 toluene 18 1.4 2 4.22 4.59 1 - 106.6 108-88-3 CC1=CC=CC=C1 - 156 chloroform 17.8 4.5 5.7 8.87 0.64 1 - 80.5 67-66-3 ClC(Cl)(Cl)[H] - 451 mesitylene 18 0.6 0.6 3.61 5.34 1 - 139.5 108-67-8 CC1=CC(C)=CC(C)=C1 - 181 cyclohexane 16.8 0.1 0.2 3.11 3.72 1 - 108.9 110-82-7 C1CCCCC1 - 545 oleic acid 16 2.8 6.2 9.13 7.12 1 - 319.7 112-80-1 O=C(O)CCCCCCCC([H])=C(CCCCCCCC)[H] - 46 aniline 20.1 5.8 11.2 7.5 11.59 0 - 91.6 62-53-3 NC1=CC=CC=C1 - 196 decane 15.7 0.1 0.1 0.64 0.64 1 - 195.9 124-18-5 CCCCCCCCCC - 105 butylamine 16.2 4.5 8 5.9 13.1 1 - 98.8 109-73-9 CCCCN - 409 heptane 15.3 0.1 0.1 0.64 0.64 1 - 147 142-82-5 CCCCCCC - 148 chlorobenzene 19 4.3 3 4.72 3.01 1 - 102.1 108-90-7 ClC1=CC=CC=C1 - 417 hexane 14.9 0.1 0.1 0.64 0.64 1 - 131.4 110-54-3 CCCCCC - 617 tetrahydrofuran THF 16.8 5.7 5.7 5 7.55 1 - 81.9 109-99-9 C1CCOC1 - 255 diethyl ether 15.5 2.9 4.6 5.15 6.56 1 - 104.7 60-29-7 CCOCC - 542 1-octanol 16 5 10.4 9.97 9.72 1 - 158.2 111-87-5 CCCCCCCCO - 550 pentane 14.5 0.1 0.1 0.64 0.64 1 - 116 109-66-0 CCCCC - 524 dichloromethane methylene chloride 17 7.3 7.1 9.53 2.06 1 - 64.4 _75-09-2 [H]C(Cl)(Cl)[H] - 160 o-chlorophenol 19 5.5 10 13.08 5.18 1 - 102.4 95-57-8 OC1=CC=CC=C1Cl - 328 ethyl acetate 15.8 5.3 7.2 5.98 7.29 0 - 98.6 141-78-6 CC(OCC)=O - 58 benzyl alcohol 18.4 6.3 13.7 11.51 8.67 0 - 103.8 100-51-6 OCC1=CC=CC=C1 - 92 butanol 1-Butanol, Butyl Alcohol 16 5.7 15.8 13.11 14.12 0 - 92 71-36-3 CCCCO - 856 Triethylene Glycol Monomethyl Ether 16.2 7.6 12.5 6.06 16.1 0 - 160 112-35-6 OCCOCCOCCOC - 531 nitrobenzene 20 10.6 3.1 6.53 5.85 0 - 102.7 98-95-3 O=[N+]([O-])C1=CC=CC=C1 - 11 acetophenone 18.8 10 4 5.88 6.94 0 - 117.4 98-86-2 CC(C1=CC=CC=C1)=O - 481 methyl ethyl ketone (MEK) 2-butanone 16 9 5.1 6.18 7.89 0 - 90.2 78-93-3 CC(CC)=O - 385 ethylenediamine 16.6 8.8 17 8.49 16.69 0 - 67.3 107-15-3 NCCN - 7 acetone 15.5 10.4 7 6.67 7.24 0 - 73.8 67-64-1 CC(C)=O - 285 N,N'-dimethylacetamide DMAc 16.8 11.5 10.2 7.63 13.38 0 - 93 127-19-5 CC(N(C)C)=O - 6 acetic anhydride 16 11.7 10.2 8.01 8.22 0 - 95 108-24-7 CC(OC(C)=O)=O - 325 ethyl alcohol Ethanol 15.8 8.8 19.4 13.12 8.09 0 - 58.6 64-17-5 CCO - 297 N,N-dimethylformamide DMF 17.4 13.7 11.3 8.85 11.92 0 - 77.4 _68-12-2 [H]C(N(C)C)=O - 263 diethylene glycol 16.6 12 19 11.97 14.82 0 - 95.3 111-46-6 OCCOCCO - 303 dimethyl sulfoxide DMSO 18.4 16.4 10.2 8.38 12.91 0 - 71.3 67-68-5 O=S(C)C - 456 methyl alcohol Methanol 15.9 12.3 22.3 14.8 6.67 0 - 40.6 67-56-1 OC([H])([H])[H] - 368 ethylene glycol 17 11 26 16.61 11.01 0 - 55.9 107-21-1 OCCO - 396 formaldehyde 12.8 13.7 15 9.08 6.36 0 - 36.9 50-00-0 O=C - 326 monoethanolamine 16.8 8.5 20 13.2 14.35 0 - 60.3 141-43-5 OCCN - 10 acetonitrile 15.3 18 6.1 8.72 7.62 0 - 52.9 _75-05-8 [H][C@@]([H])([H])C#N -
AcidAx="yEA"; BaseAx="yED"; Score01=1; Sphere3D[0][0]=17; Sphere3D[0][1]=1.9; Sphere3D[0][2]=5; Sphere3D[0][3]=7.32; Sphere3D[1][0]=17.5; Sphere3D[1][1]=3.2; Sphere3D[1][2]=5; Sphere3D[1][3]=6.42; Sphere3D[2][0]=14.9; Sphere3D[2][1]=0.7; Sphere3D[2][2]=0.6; Sphere3D[2][3]=1.86; Sphere4D[0][0]=16.8; Sphere4D[0][1]=2.6; Sphere4D[0][2]=7.1; Sphere4D[0][3]=2.4; Sphere4D[0][4]=8.48; Sphere4D[1][0]=15.9; Sphere4D[1][1]=3.7; Sphere4D[1][2]=6.5; Sphere4D[1][3]=5.1; Sphere4D[1][4]=8.13; Sphere4D[2][0]=16.3; Sphere4D[2][1]=1.1; Sphere4D[2][2]=2.3; Sphere4D[2][3]=2.5; Sphere4D[2][4]=5.4;