Molecule

ID:40035

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClNO₂
Molecular Mass
209.62902
Exact Mass
209.02435618
Charge
0
InChI
InChI=1S/C10H8ClNO2/c11-9-4-2-1-3-8(9)10-5-7(6-13)14-12-10/h1-5,13H,6H2
InChIKey
SSRHWYXRRHPGRM-UHFFFAOYSA-N
Canonic Smiles
OCc1onc(c1)c1ccccc1Cl
Isomeric Smiles
c1(noc(c1)CO)c1c(Cl)cccc1
Calculated Properties
JChem
Acid pKa
13.305982
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1275628
LogD (pH = 7.4)
2.1275623
Log P
2.127563
Molar Refractivity
53.7624
Polarizability
21.599794
Polar Surface Area
46.26
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