Molecule

ID:13255

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅NO
Molecular Mass
201.2643
Exact Mass
201.11536411
Charge
0
InChI
InChI=1S/C13H15NO/c1-11-4-2-5-12(8-11)9-14-10-13-6-3-7-15-13/h2-8,14H,9-10H2,1H3
InChIKey
ROEXOLUOFYVMGT-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)CNCc1ccco1
Isomeric Smiles
c1cc(oc1)CNCc1cc(ccc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.4944917
LogD (pH = 7.4)
2.2182212
Log P
2.8297358
Molar Refractivity
61.3507
Polarizability
23.775238
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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