Molecule

ID:57860

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆ClNO₂
Molecular Mass
207.61314
Exact Mass
207.00870612
Charge
0
InChI
InChI=1S/C10H6ClNO2/c11-7-2-1-3-8(6-7)12-9(13)4-5-10(12)14/h1-6H
InChIKey
QDEQBRUNBFJJPW-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)N1C(=O)C=CC1=O
Isomeric Smiles
C1=CC(=O)N(C1=O)c1cc(ccc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8497754
LogD (pH = 7.4)
1.8497763
Log P
1.8497763
Molar Refractivity
52.8305
Polarizability
19.89656
Polar Surface Area
37.38
Rotatable Bonds
1
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