CHOLECALCIFEROL Next Previous

ChEMBL ID CHEMBL1042
PubChem CID 5280795
DrugBank Accession Number DB00169
ClinicalTrials CHOLECALCIFEROL
Molecular Formula C27H44O
Inchikey QYSXJUFSXHHAJI-YRZJJWOYSA-N

Smiles
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2\C(=C\C=C/3\C[C@@H](O)CCC3=C)\CCC[C@]12C

Synonyms
Colecalciferol, Dihydrocholesterol, Vitamin D 3, Vitamin D, 7-Dehydrocholesterol, Cholecalciferol

Compound Properties
Drug/Drug-like Properties
Known Drug
Medchem Alerts
Passes of Rule of 3
Rule of 5 Violations 1
Molecular Species NEUTRAL
Molecular Properties
Molecular Weight 384.64
Rotatable Bonds 6
Acidic pKa (ACD) -
Basic pKa (ACD) -
LogP (ACD) 9.09
LogD (ACD) 9.09
ALogP 7.76
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