NORUCHOLIC ACID

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Synonyms
Status
Molecule Category Free-form
UNII 8A5G600D9V

Structure

InChI Key QYYDXDSPYPOWRO-JHMCBHKWSA-N
Smiles C[C@H](CC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChI
InChI=1S/C23H38O4/c1-13(10-20(26)27)16-4-5-17-21-18(7-9-23(16,17)3)22(2)8-6-15(24)11-14(22)12-19(21)25/h13-19,21,24-25H,4-12H2,1-3H3,(H,26,27)/t13-,14+,15-,16-,17+,18+,19+,21+,22+,23-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H38O4
Molecular Weight 378.55
AlogP 4.09
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 77.76
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 27.0

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL1254990
DrugBank DB16260
FDA SRS 8A5G600D9V
PubChem 192254
SureChEMBL SCHEMBL18472036
ZINC ZINC000031520504
CONTENTS