Molecule

ID:12934

General Information
Structure
Molecular Formula
C₁₈H₁₆N₂O₂
Molecular Mass
292.33184
Exact Mass
292.12117776
Charge
0
InChI
InChI=1S/C18H16N2O2/c21-18(22)15-10-13-12-8-4-5-9-14(12)19-17(13)16(20-15)11-6-2-1-3-7-11/h1-9,15-16,19-20H,10H2,(H,21,22)
InChIKey
ZJSUEWDIHUPPRO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1NC(c2ccccc2)c2c(C1)c1ccccc1[nH]2
Isomeric Smiles
c12c3c([nH]c1C(NC(C2)C(=O)O)c1ccccc1)cccc3
Calculated Properties
JChem
Acid pKa
1.972772
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
0.60331637
LogD (pH = 7.4)
0.567933
Log P
0.6034089
Molar Refractivity
83.6923
Polarizability
33.815914
Polar Surface Area
65.12
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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