Molecule

ID:87355

General Information
Structure
Molecular Formula
C₁₄H₈ClNO₂
Molecular Mass
257.67182
Exact Mass
257.02435618
Charge
0
InChI
InChI=1S/C14H8ClNO2/c15-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)14(16)18/h1-8H
InChIKey
QKHKQJWODBAIMN-UHFFFAOYSA-N
Canonic Smiles
O=C1N(c2ccc(cc2)Cl)C(=O)c2c1cccc2
Isomeric Smiles
N1(c2ccc(cc2)Cl)C(=O)c2c(cccc2)C1=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1791022
LogD (pH = 7.4)
3.1791022
Log P
3.1791022
Molar Refractivity
68.7939
Polarizability
25.96489
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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