Molecule
ID:42060
General Information
Molecular Formula
C₁₄H₈ClNO₂
Molecular Mass
257.67182
Exact Mass
257.02435618
Charge
0
InChI
InChI=1S/C14H8ClNO2/c15-11-4-2-10(3-5-11)14-12-7-9(8-17)1-6-13(12)16-18-14/h1-8H
InChIKey
WYJJMTQGJWFVPV-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc2c(c1)c(on2)c1ccc(cc1)Cl
Isomeric Smiles
c12c(onc1ccc(c2)C=O)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.596891
LogD (pH = 7.4)
3.5968919
Log P
3.5968919
Molar Refractivity
69.9807
Polarizability
28.559908
Polar Surface Area
43.1
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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