Molecule

ID:73398

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃NO₂
Molecular Mass
227.25852
Exact Mass
227.09462866
Charge
0
InChI
InChI=1S/C14H13NO2/c16-14(17)13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10,13,15H,(H,16,17)
InChIKey
NFEVMRNCAGDLBK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(c1ccccc1)Nc1ccccc1
Isomeric Smiles
N(c1ccccc1)C(c1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
4.345115
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.6590053
LogD (pH = 7.4)
-0.069513656
Log P
2.8604367
Molar Refractivity
66.6943
Polarizability
25.251863
Polar Surface Area
49.33
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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