Molecule

ID:76036

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClN₂O₂
Molecular Mass
222.62778
Exact Mass
222.01960515
Charge
0
InChI
InChI=1S/C10H7ClN2O2/c1-6-12-10(15-13-6)8-4-2-3-7(5-8)9(11)14/h2-5H,1H3
InChIKey
OSKVPCDSIORYNO-UHFFFAOYSA-N
Canonic Smiles
Cc1noc(n1)c1cccc(c1)C(=O)Cl
Isomeric Smiles
ClC(=O)c1cc(ccc1)c1nc(no1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.439745
LogD (pH = 7.4)
2.4397454
Log P
2.4397454
Molar Refractivity
67.5148
Polarizability
21.275427
Polar Surface Area
55.99
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