Molecule

ID:68022

General Information
Structure
MolImage
Molecular Formula
C₇H₈ClNO₃
Molecular Mass
189.59632
Exact Mass
189.0192708
Charge
0
InChI
InChI=1S/C7H8ClNO3/c1-3-11-7(10)5-4(2)9-12-6(5)8/h3H2,1-2H3
InChIKey
UGTFATLKCZMRGT-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(Cl)onc1C
Isomeric Smiles
o1nc(c(c1Cl)C(=O)OCC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1485013
LogD (pH = 7.4)
1.1485016
Log P
1.1485016
Molar Refractivity
43.6713
Polarizability
16.525572
Polar Surface Area
52.33
Rotatable Bonds
3
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