Molecule

ID:34280

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆ClNO₂
Molecular Mass
207.61314
Exact Mass
207.00870612
Charge
0
InChI
InChI=1S/C10H6ClNO2/c11-7-3-1-2-4-8(7)12-9(13)5-6-10(12)14/h1-6H
InChIKey
KPQOXMCRYWDRSB-UHFFFAOYSA-N
Canonic Smiles
O=C1C=CC(=O)N1c1ccccc1Cl
Isomeric Smiles
C1(=O)N(C(=O)C=C1)c1ccccc1Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8497756
LogD (pH = 7.4)
1.8497763
Log P
1.8497763
Molar Refractivity
52.8305
Polarizability
19.911575
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
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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