Molecule

ID:70433

General Information
Structure
MolImage
Molecular Formula
C₈H₇ClO₂
Molecular Mass
170.59298
Exact Mass
170.01345714
Charge
0
InChI
InChI=1S/C8H7ClO2/c1-11-7-3-2-6(5-10)8(9)4-7/h2-5H,1H3
InChIKey
YWGKOEQZKMSICW-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)Cl)C=O
Isomeric Smiles
C(=O)c1c(cc(cc1)OC)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1321216
LogD (pH = 7.4)
2.1321216
Log P
2.1321216
Molar Refractivity
43.91
Polarizability
16.65108
Polar Surface Area
26.3
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