QUINESTRADOL

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Synonyms
Status
Molecule Category Free-form
UNII 422L8173W8
EPA CompTox DTXSID30878638

Structure

InChI Key ODYKCPYPRCJXLY-PZORDLPLSA-N
Smiles C[C@]12CC[C@@H]3c4ccc(OC5CCCC5)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O
InChI
InChI=1S/C23H32O3/c1-23-11-10-18-17-9-7-16(26-15-4-2-3-5-15)12-14(17)6-8-19(18)20(23)13-21(24)22(23)25/h7,9,12,15,18-22,24-25H,2-6,8,10-11,13H2,1H3/t18-,19-,20+,21-,22+,23+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H32O3
Molecular Weight 356.51
AlogP 4.2
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 49.69
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 26.0

Related Entries

Cross References

Resources Reference
ChEBI 135506
ChEMBL CHEMBL2107004
DrugCentral 2341
FDA SRS 422L8173W8
PubChem 14626804
SureChEMBL SCHEMBL348947
ZINC ZINC000004217392
CONTENTS