Molecule

ID:16174

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO₂
Molecular Mass
229.2744
Exact Mass
229.11027873
Charge
0
InChI
InChI=1S/C14H15NO2/c15-12-6-8-14(9-7-12)17-11-10-16-13-4-2-1-3-5-13/h1-9H,10-11,15H2
InChIKey
AEUZGHQIEXOKBD-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)OCCOc1ccccc1
Isomeric Smiles
c1(N)ccc(cc1)OCCOc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.5315988
LogD (pH = 7.4)
2.629297
Log P
2.6306982
Molar Refractivity
67.7738
Polarizability
26.104664
Polar Surface Area
44.48
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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