Molecule

ID:44640

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClNO₂
Molecular Mass
209.62902
Exact Mass
209.02435618
Charge
0
InChI
InChI=1S/C10H8ClNO2/c1-6(13)7-3-2-4-8-10(7)14-9(5-11)12-8/h2-4H,5H2,1H3
InChIKey
QUADRZLCQLTRBE-UHFFFAOYSA-N
Canonic Smiles
ClCc1nc2c(o1)c(ccc2)C(=O)C
Isomeric Smiles
n1c(oc2c(C(=O)C)cccc12)CCl
Calculated Properties
JChem
Acid pKa
15.083365
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5379214
LogD (pH = 7.4)
1.5379214
Log P
1.5379214
Molar Refractivity
52.3198
Polarizability
21.235146
Polar Surface Area
43.1
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
暂无数据
点击上传数据
References
Bioactivity
Navigation