Molecule

ID:112308

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₂
Molecular Mass
233.30616
Exact Mass
233.14157885
Charge
0
InChI
InChI=1S/C14H19NO2/c15-14(13(16)17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10,15H2,(H,16,17)
InChIKey
BRBQDZBKZKUUMW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(c1ccccc1)(C1CCCCC1)N
Isomeric Smiles
NC(C1CCCCC1)(C(=O)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
2.4221742
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.7174497
LogD (pH = 7.4)
0.7114668
Log P
0.7174813
Molar Refractivity
66.071
Polarizability
26.362488
Polar Surface Area
63.32
Rotatable Bonds
3
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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