Molecule

ID:12462

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅NO
Molecular Mass
201.2643
Exact Mass
201.11536411
Charge
0
InChI
InChI=1S/C13H15NO/c1-11-7-8-13(15-11)10-14-9-12-5-3-2-4-6-12/h2-8,14H,9-10H2,1H3
InChIKey
MQAGILLNJLJQDK-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(o1)CNCc1ccccc1
Isomeric Smiles
c1cccc(c1)CNCc1ccc(o1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.15663844
LogD (pH = 7.4)
1.8833866
Log P
2.5158758
Molar Refractivity
61.4592
Polarizability
23.776543
Polar Surface Area
25.17
Rotatable Bonds
4
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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