Molecule

ID:56780

General Information
Structure
MolImage
Molecular Formula
C₇H₈ClNO₂
Molecular Mass
173.59692
Exact Mass
173.02435618
Charge
0
InChI
InChI=1S/C7H8ClNO2/c1-3-5-6(7(8)10)4(2)11-9-5/h3H2,1-2H3
InChIKey
IPTLCBNDPDQIRA-UHFFFAOYSA-N
Canonic Smiles
CCc1noc(c1C(=O)Cl)C
Isomeric Smiles
c1(c(onc1CC)C)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5601649
LogD (pH = 7.4)
1.560171
Log P
1.5601711
Molar Refractivity
42.9828
Polarizability
15.561468
Polar Surface Area
43.1
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