Molecule

ID:27447

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂ClNO₂
Molecular Mass
273.71428
Exact Mass
273.05565631
Charge
0
InChI
InChI=1S/C15H12ClNO2/c1-10(18)11-4-8-14(9-5-11)17-15(19)12-2-6-13(16)7-3-12/h2-9H,1H3,(H,17,19)
InChIKey
XRDNUECBGFPZOM-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)C
Isomeric Smiles
C(=O)(Nc1ccc(C(=O)C)cc1)c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
11.402678
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.2268224
LogD (pH = 7.4)
3.2267818
Log P
3.2268229
Molar Refractivity
76.7991
Polarizability
28.540161
Polar Surface Area
46.17
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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