Molecule

ID:42547

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀ClNO₂
Molecular Mass
247.677
Exact Mass
247.04000625
Charge
0
InChI
InChI=1S/C13H10ClNO2/c1-15-7-10(6-12(15)8-16)13(17)9-3-2-4-11(14)5-9/h2-8H,1H3
InChIKey
HGYPWKCEDGGCLD-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(cn1C)C(=O)c1cccc(c1)Cl
Isomeric Smiles
c1(cn(c(c1)C=O)C)C(=O)c1cc(Cl)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9727073
LogD (pH = 7.4)
2.9727073
Log P
2.9727073
Molar Refractivity
67.5553
Polarizability
25.223501
Polar Surface Area
39.07
Rotatable Bonds
3
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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