Molecule

ID:69767

General Information
Structure
MolImage
Molecular Formula
C₇H₆ClNO
Molecular Mass
155.58164
Exact Mass
155.0137915
Charge
0
InChI
InChI=1S/C7H6ClNO/c1-5-2-7(8)9-3-6(5)4-10/h2-4H,1H3
InChIKey
GDOVQVRMRKHPNI-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(Cl)ncc1C=O
Isomeric Smiles
C(=O)c1c(cc(nc1)Cl)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8057079
LogD (pH = 7.4)
1.8057188
Log P
1.805719
Molar Refractivity
41.3924
Polarizability
15.051622
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