MONOCROTALINE Next Previous

ChEMBL ID CHEMBL521035
PubChem CID 9415
DrugBank Accession Number
ClinicalTrials MONOCROTALINE
Molecular Formula C16H23NO6
Inchikey QVCMHGGNRFRMAD-XFGHUUIASA-N
Cas Number 315-22-0

Smiles
C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23

Synonyms
Monocrotaline

Libraries
ScreenWell

Compound Properties
Drug/Drug-like Properties
Known Drug
Medchem Alerts None
Passes of Rule of 3
Rule of 5 Violations 0
Molecular Species NEUTRAL
Molecular Properties
Molecular Weight 325.36
Rotatable Bonds 0
Acidic pKa (ACD) -
Basic pKa (ACD) -
LogP (ACD) -
LogD (ACD) -
ALogP -0.39
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