CINOXATE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 5437O7N5BH

Structure
InChI Key CMDKPGRTAQVGFQ-RMKNXTFCSA-N
Smile CCOCCOC(=O)/C=C/c1ccc(OC)cc1
InChI
InChI=1S/C14H18O4/c1-3-17-10-11-18-14(15)9-6-12-4-7-13(16-2)8-5-12/h4-9H,3,10-11H2,1-2H3/b9-6+

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H18O4
Molecular Weight 250.29
AlogP 2.29
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 7.0
Polar Surface Area 44.76
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 18.0

Cross References

Resources Reference
ChEMBL CHEMBL2104045
DrugBank DB15467
FDA SRS 5437O7N5BH
PubChem 5373773
SureChEMBL SCHEMBL15558
ZINC ZINC000002041136
CONTENTS