Molecule

ID:63582

General Information
Structure
MolImage
Molecular Formula
C₆H₅ClN₂O₂
Molecular Mass
172.5691
Exact Mass
172.00395509
Charge
0
InChI
InChI=1S/C6H5ClN2O2/c1-11-6(10)4-2-8-3-5(7)9-4/h2-3H,1H3
InChIKey
MVVYUJFEXRODQA-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cncc(n1)Cl
Isomeric Smiles
c1(C(=O)OC)cncc(Cl)n1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.5514501
LogD (pH = 7.4)
0.55145013
Log P
0.55145013
Molar Refractivity
39.2636
Polarizability
15.058089
Polar Surface Area
52.08
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