Molecule

ID:27480

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃NO₂
Molecular Mass
239.26922
Exact Mass
239.09462866
Charge
0
InChI
InChI=1S/C15H13NO2/c1-11(17)13-8-5-9-14(10-13)16-15(18)12-6-3-2-4-7-12/h2-10H,1H3,(H,16,18)
InChIKey
WLMCJZXPENYTMD-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)Nc1cccc(c1)C(=O)C
Isomeric Smiles
C(=O)(Nc1cc(C(=O)C)ccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
10.9572735
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.6227767
LogD (pH = 7.4)
2.6226637
Log P
2.6227782
Molar Refractivity
71.9943
Polarizability
26.671394
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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