Molecule

ID:85437

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂ClNO₂
Molecular Mass
273.71428
Exact Mass
273.05565631
Charge
0
InChI
InChI=1S/C15H12ClNO2/c16-10-14(18)17-13-9-5-4-8-12(13)15(19)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18)
InChIKey
HIMNRRQRDQNAEN-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1ccccc1C(=O)c1ccccc1
Isomeric Smiles
N(c1c(cccc1)C(=O)c1ccccc1)C(=O)CCl
Calculated Properties
JChem
Acid pKa
12.223612
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.857653
LogD (pH = 7.4)
3.857647
Log P
3.8576531
Molar Refractivity
76.2497
Polarizability
28.675676
Polar Surface Area
46.17
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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