Molecule

ID:41940

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NO
Molecular Mass
205.29606
Exact Mass
205.14666423
Charge
0
InChI
InChI=1S/C13H19NO/c15-11-13-6-8-14(9-7-13)10-12-4-2-1-3-5-12/h1-5,13,15H,6-11H2
InChIKey
FLQPYEOKVZYXRL-UHFFFAOYSA-N
Canonic Smiles
OCC1CCN(CC1)Cc1ccccc1
Isomeric Smiles
N1(Cc2ccccc2)CCC(CC1)CO
Calculated Properties
JChem
Acid pKa
15.467189
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5359521
LogD (pH = 7.4)
0.029171387
Log P
1.6933029
Molar Refractivity
63.143
Polarizability
24.65494
Polar Surface Area
23.47
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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