Molecule

ID:46054

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅NO
Molecular Mass
225.2857
Exact Mass
225.11536411
Charge
0
InChI
InChI=1S/C15H15NO/c1-2-4-12(5-3-1)13-6-8-14(9-7-13)17-15-10-16-11-15/h1-9,15-16H,10-11H2
InChIKey
IIIPPZPXPMOBMN-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)c1ccc(cc1)OC1CNC1
Isomeric Smiles
N1CC(Oc2ccc(c3ccccc3)cc2)C1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.13640016
LogD (pH = 7.4)
1.786665
Log P
2.9866385
Molar Refractivity
68.083
Polarizability
28.38429
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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