Molecule

ID:14736

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅NO
Molecular Mass
201.2643
Exact Mass
201.11536411
Charge
0
InChI
InChI=1S/C13H15NO/c1-2-5-12(6-3-1)8-9-14-11-13-7-4-10-15-13/h1-7,10,14H,8-9,11H2
InChIKey
PAZJDKKSVLFGPT-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)CCNCc1ccco1
Isomeric Smiles
c1(CCNCc2ccco2)ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.26773918
LogD (pH = 7.4)
1.3691106
Log P
2.6049757
Molar Refractivity
61.0645
Polarizability
23.778357
Polar Surface Area
25.17
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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