Molecule

ID:111996

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁NO₂
Molecular Mass
225.24264
Exact Mass
225.0789786
Charge
0
InChI
InChI=1S/C14H11NO2/c1-2-4-12(5-3-1)15-9-11-6-7-13-14(8-11)17-10-16-13/h1-9H,10H2
InChIKey
OCPBTGFXVLONGM-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)/N=C/c1ccc2c(c1)OCO2
Isomeric Smiles
C1Oc2ccc(/C=N/c3ccccc3)cc2O1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.4704192
LogD (pH = 7.4)
3.4707363
Log P
3.47074
Molar Refractivity
67.1545
Polarizability
24.923817
Polar Surface Area
30.82
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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