Molecule

ID:101712

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅NO₂
Molecular Mass
253.2958
Exact Mass
253.11027873
Charge
0
InChI
InChI=1S/C16H15NO2/c1-11-4-2-3-5-14(11)15(18)10-12-6-8-13(9-7-12)16(17)19/h2-9H,10H2,1H3,(H2,17,19)
InChIKey
BYZXRHYXMQRUCL-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1C)Cc1ccc(cc1)C(=O)N
Isomeric Smiles
C(=O)(c1c(C)cccc1)Cc1ccc(C(=O)N)cc1
Calculated Properties
JChem
Acid pKa
14.054927
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.7292948
LogD (pH = 7.4)
2.7292948
Log P
2.7292948
Molar Refractivity
75.3023
Polarizability
28.251387
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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