CLOFOREX

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 2QJT5ZC1L6

Structure
InChI Key TZWKUQDQKPYNLL-UHFFFAOYSA-N
Smile CCOC(=O)NC(C)(C)Cc1ccc(Cl)cc1
InChI
InChI=1S/C13H18ClNO2/c1-4-17-12(16)15-13(2,3)9-10-5-7-11(14)8-6-10/h5-8H,4,9H2,1-3H3,(H,15,16)

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H18ClNO2
Molecular Weight 255.75
AlogP 3.41
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 38.33
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 17.0

Cross References

Resources Reference
ChEBI 135049
ChEMBL CHEMBL1697686
DrugCentral 697
EPA CompTox DTXSID7048794
FDA SRS 2QJT5ZC1L6
PubChem 26602
SureChEMBL SCHEMBL161808
ZINC ZINC000000001189
CONTENTS