Molecule

ID:88035

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇ClO₂
Molecular Mass
206.62508
Exact Mass
206.01345714
Charge
0
InChI
InChI=1S/C11H7ClO2/c12-11(13)9-5-3-8(4-6-9)10-2-1-7-14-10/h1-7H
InChIKey
SOVAUONZJRXJKK-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1ccc(cc1)c1ccco1
Isomeric Smiles
o1c(ccc1)c1ccc(cc1)C(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8716304
LogD (pH = 7.4)
2.8716304
Log P
2.8716304
Molar Refractivity
54.6998
Polarizability
21.882772
Polar Surface Area
30.21
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
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation