Molecule

ID:113277

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇NO₂
Molecular Mass
255.31168
Exact Mass
255.12592879
Charge
0
InChI
InChI=1S/C16H17NO2/c18-16(19)13-17(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,18,19)
InChIKey
QDWVRVNMKUFQJL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN(Cc1ccccc1)Cc1ccccc1
Isomeric Smiles
N(CC(=O)O)(Cc1ccccc1)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
1.8197631
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.3897974
LogD (pH = 7.4)
0.38536572
Log P
0.38972387
Molar Refractivity
75.2979
Polarizability
29.331457
Polar Surface Area
40.54
Rotatable Bonds
6
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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