| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 1st, 2005 | 18 | Yes |
Popular Name: 6-(Pyridin-3-ylcarbamoyl)-cyclohex-3-enecarboxylic acid 6-(Pyridin-3-ylcarbamoyl)-cycloh…
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CAS Numbers: 432001-25-7 , [432001-25-7]
3-Cyclohexene-1-carboxylic acid, 6-[(3-pyridinylamino)carbonyl]- (9CI)
| 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) | 0.95 | 5.47 | -59.63 | 1 | 5 | -1 | 82 | 245.258 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.95 | 4.13 | -12.06 | 2 | 5 | 0 | 79 | 246.266 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
