Molecule

ID:43758

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂ClNO₂
Molecular Mass
261.70358
Exact Mass
261.05565631
Charge
0
InChI
InChI=1S/C14H12ClNO2/c1-10-2-4-11(5-3-10)7-16-8-12(9-17)6-13(15)14(16)18/h2-6,8-9H,7H2,1H3
InChIKey
IAFMYXVWWUEOSI-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn(Cc2ccc(cc2)C)c(=O)c(c1)Cl
Isomeric Smiles
n1(c(=O)c(cc(c1)C=O)Cl)Cc1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4156559
LogD (pH = 7.4)
2.4156559
Log P
2.4156559
Molar Refractivity
72.4609
Polarizability
26.897305
Polar Surface Area
37.38
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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