In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2008 | 21 | No |
Popular Name: 2-{[(3-chloro-4-methylphenyl)amino]methyl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione 2-{[(3-chloro-4-methylphenyl)ami…
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CAS Numbers: , 326920-64-3
1H-isoindole-1,3(2H)-dione, 2-[[(3-chloro-4-methylphenyl)amino]methyl]-3a,4,7,7a-tetrahydro-
2-[(3-chloro-4-methylanilino)methyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.03 | 7.5 | -6.47 | 1 | 4 | 0 | 49 | 304.777 | 3 | ↓ |
Ref Reference (pH 7) | 3.03 | 7.49 | -6.53 | 1 | 4 | 0 | 49 | 304.777 | 3 | ↓ |
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