Molecule

ID:41307

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆ClNO₂
Molecular Mass
207.61314
Exact Mass
207.00870612
Charge
0
InChI
InChI=1S/C10H6ClNO2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-6H
InChIKey
FPZQYYXSOJSITC-UHFFFAOYSA-N
Canonic Smiles
O=C1C=CC(=O)N1c1ccc(cc1)Cl
Isomeric Smiles
N1(C(=O)C=CC1=O)c1ccc(cc1)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
19.894371
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
References
Bioactivity
Navigation