Molecule

ID:101394

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁NO₂
Molecular Mass
225.24264
Exact Mass
225.0789786
Charge
0
InChI
InChI=1S/C14H11NO2/c16-11-15-14-9-5-4-6-12(14)10-17-13-7-2-1-3-8-13/h1-9H,10H2
InChIKey
FGEXXDXHIUWRRS-UHFFFAOYSA-N
Canonic Smiles
O=C=Nc1ccccc1COc1ccccc1
Isomeric Smiles
C(=Nc1c(COc2ccccc2)cccc1)=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.4496033
LogD (pH = 7.4)
3.4496033
Log P
3.4496033
Molar Refractivity
66.2058
Polarizability
24.74082
Polar Surface Area
38.66
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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