Molecule

ID:41334

General Information
Structure
Molecular Formula
C₁₅H₁₅NO₂
Molecular Mass
241.2851
Exact Mass
241.11027873
Charge
0
InChI
InChI=1S/C15H15NO2/c1-16(17)11-14-9-5-6-10-15(14)18-12-13-7-3-2-4-8-13/h2-11H,12H2,1H3/b16-11+
InChIKey
BRUDIIMWIFKTOZ-LFIBNONCSA-N
Canonic Smiles
[O-]/[N+](=C/c1ccccc1OCc1ccccc1)/C
Isomeric Smiles
[N+](=C\c1c(OCc2ccccc2)cccc1)(/[O-])\C
Calculated Properties
JChem
Acid pKa
18.989452
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1721258
LogD (pH = 7.4)
3.172128
Log P
3.172128
Molar Refractivity
74.1287
Polarizability
27.398705
Polar Surface Area
37.98
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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