Molecule

ID:85207

General Information
Structure
Molecular Formula
C₇H₅Cl₂NO₂
Molecular Mass
206.0261
Exact Mass
204.96973377
Charge
0
InChI
InChI=1S/C7H5Cl2NO2/c1-12-7(11)6-4(8)2-3-5(9)10-6/h2-3H,1H3
InChIKey
HQTUEAOWLVWJLF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1nc(Cl)ccc1Cl
Isomeric Smiles
n1c(ccc(c1C(=O)OC)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3731673
LogD (pH = 7.4)
2.3731673
Log P
2.3731673
Molar Refractivity
46.2253
Polarizability
17.851019
Polar Surface Area
39.19
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