Molecule

ID:88142

General Information
Structure
MolImage
Molecular Formula
C₇H₆ClNO
Molecular Mass
155.58164
Exact Mass
155.0137915
Charge
0
InChI
InChI=1S/C7H6ClNO/c1-5-2-3-9-4-6(5)7(8)10/h2-4H,1H3
InChIKey
BLQJZTXYHZLWJC-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cnccc1C
Isomeric Smiles
n1cc(c(cc1)C)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4258711
LogD (pH = 7.4)
1.4594576
Log P
1.4599073
Molar Refractivity
40.057
Polarizability
14.973174
Polar Surface Area
29.96
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