Molecule

ID:77949

General Information
Structure
MolImage
Molecular Formula
C₉H₅ClO₂
Molecular Mass
180.5878
Exact Mass
179.99780708
Charge
0
InChI
InChI=1S/C9H5ClO2/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-5H
InChIKey
YUHWSRVMUQSCNL-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1coc2c1cccc2
Isomeric Smiles
o1c2c(cccc2)c(c1)C(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3232818
LogD (pH = 7.4)
2.3232818
Log P
2.3232818
Molar Refractivity
46.0138
Polarizability
18.457403
Polar Surface Area
30.21
Rotatable Bonds
1
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