Molecule

ID:86559

General Information
Structure
MolImage
Molecular Formula
C₉H₇ClN₂O₃
Molecular Mass
226.61648
Exact Mass
226.01451977
Charge
0
InChI
InChI=1S/C9H7ClN2O3/c1-4-3-6(12-14-4)8-7(9(10)13)5(2)11-15-8/h3H,1-2H3
InChIKey
HDAQKYGQLNYBTQ-UHFFFAOYSA-N
Canonic Smiles
Cc1onc(c1)c1onc(c1C(=O)Cl)C
Isomeric Smiles
o1c(c(C(=O)Cl)c(n1)C)c1noc(c1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.177257
LogD (pH = 7.4)
1.1772574
Log P
1.1772574
Molar Refractivity
54.4396
Polarizability
20.67253
Polar Surface Area
69.13
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