Molecule

ID:41941

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NO
Molecular Mass
205.29606
Exact Mass
205.14666423
Charge
0
InChI
InChI=1S/C13H19NO/c15-11-13-7-4-8-14(10-13)9-12-5-2-1-3-6-12/h1-3,5-6,13,15H,4,7-11H2
InChIKey
GEXYNZFTVPXBBB-UHFFFAOYSA-N
Canonic Smiles
OCC1CCCN(C1)Cc1ccccc1
Isomeric Smiles
N1(CC(CO)CCC1)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
15.431447
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.579417
LogD (pH = 7.4)
-0.13087225
Log P
1.7348597
Molar Refractivity
63.0442
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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