Molecule

ID:65536

General Information
Structure
MolImage
Molecular Formula
C₉H₈ClNO₄
Molecular Mass
229.61712
Exact Mass
229.01418542
Charge
0
InChI
InChI=1S/C9H8ClNO4/c1-13-9(12)6-5(10)4-11-8-7(6)14-2-3-15-8/h4H,2-3H2,1H3
InChIKey
FDZQIVVEPFUVKE-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1c(Cl)cnc2c1OCCO2
Isomeric Smiles
c1(cnc2c(c1C(=O)OC)OCCO2)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.4706844
LogD (pH = 7.4)
1.4706851
Log P
1.4706851
Molar Refractivity
52.0021
Polarizability
20.255379
Polar Surface Area
57.65
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