Molecule

ID:78262

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NO
Molecular Mass
205.29606
Exact Mass
205.14666423
Charge
0
InChI
InChI=1S/C13H19NO/c15-13-7-10-14(11-8-13)9-6-12-4-2-1-3-5-12/h1-5,13,15H,6-11H2
InChIKey
KYGMSTKBHJVPJK-UHFFFAOYSA-N
Canonic Smiles
OC1CCN(CC1)CCc1ccccc1
Isomeric Smiles
N1(CCc2ccccc2)CCC(O)CC1
Calculated Properties
JChem
Acid pKa
15.179289
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6973629
LogD (pH = 7.4)
-0.12125381
Log P
1.5213634
Molar Refractivity
63.08
Polarizability
24.578257
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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