In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 20th, 2004 | 24 | No |
Popular Name: benzoic acid, 3-nitro-, (5-bromo-1,2-dihydro-2-oxo-3H-indol-3-ylidene)hydrazide benzoic acid, 3-nitro-, (5-bromo…
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) | 3.05 | 5.79 | -22.01 | 2 | 8 | 0 | 120 | 389.165 | 3 | ↓ |
Ref Reference (pH 7) | 2.88 | 5.89 | -43.27 | 3 | 8 | 1 | 118 | 390.173 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.51 | 4.19 | -39.9 | 1 | 8 | -1 | 123 | 388.157 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.51 | 3.87 | -54.05 | 1 | 8 | -1 | 123 | 388.157 | 3 | ↓ |