Molecule
ID:71114
General Information
Molecular Formula
C₁₈H₁₆N₂O₂
Molecular Mass
292.33184
Exact Mass
292.12117776
Charge
0
InChI
InChI=1S/C18H16N2O2/c1-11-8-14-15(9-12(11)2)20-18(22)16(19-14)10-17(21)13-6-4-3-5-7-13/h3-10,19H,1-2H3,(H,20,22)/b16-10+
InChIKey
FLOVNBPPPHTIDC-MHWRWJLKSA-N
Canonic Smiles
O=C(c1ccccc1)/C=c\1/[nH]c2cc(C)c(cc2[nH]c1=O)C
Isomeric Smiles
[nH]1c(=O)/c(=C\C(=O)c2ccccc2)/[nH]c2cc(c(cc12)C)C
Calculated Properties
JChem
Acid pKa
11.096635
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.1168668
LogD (pH = 7.4)
3.1167848
Log P
3.1168678
Molar Refractivity
90.6837
Polarizability
32.22997
Polar Surface Area
58.2
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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