Molecule

ID:42527

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈ClNO₂
Molecular Mass
221.63972
Exact Mass
221.02435618
Charge
0
InChI
InChI=1S/C11H8ClNO2/c1-15-11(14)9-6-13-10(12)8-5-3-2-4-7(8)9/h2-6H,1H3
InChIKey
YTJDBMFLRYQTPT-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cnc(c2c1cccc2)Cl
Isomeric Smiles
c1(c2c(c(nc1)Cl)cccc2)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5727477
LogD (pH = 7.4)
2.572749
Log P
2.572749
Molar Refractivity
58.2427
Polarizability
23.300238
Polar Surface Area
39.19
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