Molecule

ID:69086

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇NO₂
Molecular Mass
219.27958
Exact Mass
219.12592879
Charge
0
InChI
InChI=1S/C13H17NO2/c15-13(16)12-8-4-5-9-14(12)10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,15,16)
InChIKey
FEUCBQVXYVZGCM-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCCCN1Cc1ccccc1
Isomeric Smiles
N1(C(CCCC1)C(=O)O)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
1.8323696
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.27528724
LogD (pH = 7.4)
-0.27610293
Log P
-0.27525887
Molar Refractivity
62.5726
Polarizability
24.522383
Polar Surface Area
40.54
Rotatable Bonds
3
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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