Molecule

ID:68690

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClNO₂
Molecular Mass
209.62902
Exact Mass
209.02435618
Charge
0
InChI
InChI=1S/C10H8ClNO2/c11-7-2-1-3-8-10(7)6(5-12-8)4-9(13)14/h1-3,5,12H,4H2,(H,13,14)
InChIKey
WNCFBCKZRJDRKZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1c[nH]c2c1c(Cl)ccc2
Isomeric Smiles
[nH]1cc(c2c(cccc12)Cl)CC(=O)O
Calculated Properties
JChem
Acid pKa
4.1446466
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.9425954
LogD (pH = 7.4)
-0.75654393
Log P
2.3138008
Molar Refractivity
53.2569
Polarizability
21.597237
Polar Surface Area
53.09
Rotatable Bonds
2
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