Molecule

ID:101711

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂ClNO₂
Molecular Mass
273.71428
Exact Mass
273.05565631
Charge
0
InChI
InChI=1S/C15H12ClNO2/c16-13-7-5-11(6-8-13)14(18)9-10-1-3-12(4-2-10)15(17)19/h1-8H,9H2,(H2,17,19)
InChIKey
ODDULGJHVCGLBN-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C(=O)Cc1ccc(cc1)C(=O)N
Isomeric Smiles
C(=O)(c1ccc(CC(=O)c2ccc(cc2)Cl)cc1)N
Calculated Properties
JChem
Acid pKa
13.459608
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.8199182
LogD (pH = 7.4)
2.819918
Log P
2.8199182
Molar Refractivity
75.0659
Polarizability
28.357697
Polar Surface Area
60.16
Rotatable Bonds
4
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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