Molecule

ID:8785

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃NO₂
Molecular Mass
227.25852
Exact Mass
227.09462866
Charge
0
InChI
InChI=1S/C14H13NO2/c16-14(17)12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9,15H,10H2,(H,16,17)
InChIKey
JGQKORRBYIBYOF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccccc1NCc1ccccc1
Isomeric Smiles
C(=O)(c1ccccc1NCc1ccccc1)O
Calculated Properties
JChem
Acid pKa
4.6646304
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.5434067
LogD (pH = 7.4)
0.77149034
Log P
3.47808
Molar Refractivity
68.1206
Polarizability
25.225262
Polar Surface Area
49.33
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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