Molecule

ID:60708

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇ClN₂O₂
Molecular Mass
234.63848
Exact Mass
234.01960515
Charge
0
InChI
InChI=1S/C11H7ClN2O2/c12-10-4-5-11(14-13-10)16-9-3-1-2-8(6-9)7-15/h1-7H
InChIKey
OFIOKZFAVIBYAD-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1)Oc1ccc(nn1)Cl
Isomeric Smiles
n1nc(Cl)ccc1Oc1cc(C=O)ccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.4072723
LogD (pH = 7.4)
2.4072723
Log P
2.4072723
Molar Refractivity
62.7688
Polarizability
22.752926
Polar Surface Area
52.08
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