(8A,9R)-10,11-DIHYDROCINCHONAN-9-OL

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Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key WFJNHVWTKZUUTR-KODHJQJWSA-N
Smiles CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c3ccnc4ccccc34
InChI
InChI=1/C19H24N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h3-7,9,13-14,18-19,22H,2,8,10-12H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H24N2O
Molecular Weight 296.19
AlogP 3.39
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 36.36
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 485-64-3
NORMAN SUSDAT
CONTENTS