COCAETHYLENE

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Synonyms
Status
Molecule Category Free-form
UNII FJO3071W5Y

Structure

InChI Key NMPOSNRHZIWLLL-SSHXOBKSSA-N
Smiles CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(=O)c1ccccc1)N2C
InChI
InChI=1S/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3/t13?,14?,15-,16+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H23NO4
Molecular Weight 317.39
AlogP 2.26
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 4.0
Polar Surface Area 55.84
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 23.0

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL608806
FDA SRS FJO3071W5Y
PubChem 644006
SureChEMBL SCHEMBL1649961
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