Molecule

ID:46012

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅NO
Molecular Mass
225.2857
Exact Mass
225.11536411
Charge
0
InChI
InChI=1S/C15H15NO/c1-2-6-12(7-3-1)14-8-4-5-9-15(14)17-13-10-16-11-13/h1-9,13,16H,10-11H2
InChIKey
LOBOXFTYUABNLU-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)c1ccccc1OC1CNC1
Isomeric Smiles
c1(c(c2ccccc2)cccc1)OC1CNC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.14301984
LogD (pH = 7.4)
1.7969605
Log P
2.9866385
Molar Refractivity
68.083
Polarizability
28.390066
Polar Surface Area
21.26
Rotatable Bonds
3
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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