Molecule

ID:101803

General Information
Structure
MolImage
Molecular Formula
C₉H₇ClO₃
Molecular Mass
198.60308
Exact Mass
198.00837176
Charge
0
InChI
InChI=1S/C9H7ClO3/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h2-5H,1H3
InChIKey
GNBWUEAMCSHHMO-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccccc1C(=O)Cl
Isomeric Smiles
c1(c(C(=O)OC)cccc1)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1676354
LogD (pH = 7.4)
2.1676354
Log P
2.1676354
Molar Refractivity
49.198
Polarizability
18.568037
Polar Surface Area
43.37
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation