In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2008 | 13 | No |
Popular Name: 4-chlorobenzaldehyde thiosemicarbazone 4-chlorobenzaldehyde thiosemicar…
Find On: PubMed — Wikipedia — Google
CAS Number: N/A
3-[(Z)-(4-chlorophenyl)methyleneamino]isothiourea
N'-[(1Z)-(4-chlorophenyl)methylene]carbamohydrazonothioic acid
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) | 2.07 | 4.86 | -14.14 | 3 | 3 | 0 | 52 | 213.693 | 2 | ↓ |
Ref Reference (pH 7) | 2.56 | 5.07 | -13.04 | 3 | 3 | 0 | 50 | 213.693 | 3 | ↓ |