Molecule

ID:28643

General Information
Structure
Molecular Formula
C₁₄H₈ClNO₂
Molecular Mass
257.67182
Exact Mass
257.02435618
Charge
0
InChI
InChI=1S/C14H8ClNO2/c15-13(17)9-5-7-10(8-6-9)14-16-11-3-1-2-4-12(11)18-14/h1-8H
InChIKey
DTNVIGCWOGUZON-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1ccc(cc1)c1nc2c(o1)cccc2
Isomeric Smiles
n1c(oc2c1cccc2)c1ccc(C(=O)Cl)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5355465
LogD (pH = 7.4)
3.5355482
Log P
3.5355482
Molar Refractivity
78.9394
Polarizability
27.845314
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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