Molecule

ID:59565

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₆N₂O₂
Molecular Mass
292.33184
Exact Mass
292.12117776
Charge
0
InChI
InChI=1S/C18H16N2O2/c1-11(2)12-5-6-16-14(8-12)15(18(21)22)9-17(20-16)13-4-3-7-19-10-13/h3-11H,1-2H3,(H,21,22)
InChIKey
VUQPPTJUDWPEKS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(nc2c1cc(cc2)C(C)C)c1cccnc1
Isomeric Smiles
c1(c2c(nc(c1)c1cnccc1)ccc(c2)C(C)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.4894965
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.0218585
LogD (pH = 7.4)
0.54097944
Log P
2.9902155
Molar Refractivity
84.0336
Polarizability
34.835915
Polar Surface Area
63.08
Rotatable Bonds
3
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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