Molecule

ID:50169

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NO
Molecular Mass
205.29606
Exact Mass
205.14666423
Charge
0
InChI
InChI=1S/C13H19NO/c1-2-6-13(7-3-1)15-10-4-5-12-8-9-14-11-12/h1-3,6-7,12,14H,4-5,8-11H2
InChIKey
UCBQZFAIQDCRDU-UHFFFAOYSA-N
Canonic Smiles
C(CC1CNCC1)COc1ccccc1
Isomeric Smiles
N1CC(CCCOc2ccccc2)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.8766313
LogD (pH = 7.4)
-0.81209844
Log P
2.3645022
Molar Refractivity
62.0966
Polarizability
24.717371
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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