Molecule

ID:50180

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NO
Molecular Mass
205.29606
Exact Mass
205.14666423
Charge
0
InChI
InChI=1S/C13H19NO/c1-2-4-13(5-3-1)11-15-9-7-12-6-8-14-10-12/h1-5,12,14H,6-11H2
InChIKey
GACFOICNHWFXQJ-UHFFFAOYSA-N
Canonic Smiles
C(CC1CNCC1)OCc1ccccc1
Isomeric Smiles
N1CC(CCOCc2ccccc2)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2877449
LogD (pH = 7.4)
-1.2227297
Log P
1.9533815
Molar Refractivity
62.5995
Polarizability
24.728235
Polar Surface Area
21.26
Rotatable Bonds
5
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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