Molecule

ID:77463

General Information
Structure
Molecular Formula
C₁₀H₆ClNO₂
Molecular Mass
207.61314
Exact Mass
207.00870612
Charge
0
InChI
InChI=1S/C10H6ClNO2/c11-10(13)9-6-8(12-14-9)7-4-2-1-3-5-7/h1-6H
InChIKey
HGXKTMWKFBNMMH-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1onc(c1)c1ccccc1
Isomeric Smiles
n1c(c2ccccc2)cc(o1)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4817805
LogD (pH = 7.4)
2.4817805
Log P
2.4817805
Molar Refractivity
53.2564
Polarizability
21.02789
Polar Surface Area
43.1
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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