In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 5th, 2006 | 18 | No |
Popular Name: N-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide N-[2-chloro-5-(trifluoromethyl)p…
N-[2-chloro-5-(trifluoromethyl)phenyl]dicarbonimido/ic diamide/imido
{[[2-chloro-5-(trifluoromethyl)anilino](imino)methyl]amino}methanimidamide hydrochloride
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) | 1.82 | 6.31 | -29.27 | 7 | 5 | 1 | 100 | 280.661 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.57 | 4.66 | -9.87 | 6 | 5 | 0 | 103 | 279.653 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
ALOGPS_SOLUBILITY | 2.46e-02 g/l | DrugBank-experimental |