Molecule

ID:37537

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClN₂O
Molecular Mass
206.62838
Exact Mass
206.02469053
Charge
0
InChI
InChI=1S/C10H7ClN2O/c11-9-3-1-2-4-10(9)13-6-8(7-14)5-12-13/h1-7H
InChIKey
IBBOEWGKMLRFFX-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cnn(c1)c1ccccc1Cl
Isomeric Smiles
n1(ncc(C=O)c1)c1c(cccc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.375603
LogD (pH = 7.4)
2.3756113
Log P
2.3756113
Molar Refractivity
55.8085
Polarizability
21.185476
Polar Surface Area
34.89
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