Structure

InChI Key GAKMQHDJQHZUTJ-ULHLPKEOSA-N
Smile C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO
InChI
InChI=1S/C22H29FO4/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-21(15,2)20(13)17(26)9-22(14,3)19(11)18(27)10-24/h4-5,7,11,13-14,16-17,19-20,24,26H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19-,20-,21+,22+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H29FO4
Molecular Weight 376.47
AlogP 2.64
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 74.6
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 27.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135581
ChEMBL CHEMBL251634
DrugBank DB08971
DrugCentral 1206
EPA CompTox DTXSID00861835
FDA SRS 65VXC1MH0J
PubChem 9053
SureChEMBL SCHEMBL4644
ZINC ZINC000004213353