Molecule

ID:34982

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₆N₂O₂
Molecular Mass
292.33184
Exact Mass
292.12117776
Charge
0
InChI
InChI=1S/C18H16N2O2/c1-11-7-8-15(12(2)9-11)19-17-10-14(18(21)22)13-5-3-4-6-16(13)20-17/h3-10H,1-2H3,(H,19,20)(H,21,22)
InChIKey
DNOGBKFRTQPPFU-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)C)Nc1nc2ccccc2c(c1)C(=O)O
Isomeric Smiles
c1(C(=O)O)c2c(nc(Nc3c(cc(cc3)C)C)c1)cccc2
Calculated Properties
JChem
Acid pKa
4.3220606
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
3.6323829
LogD (pH = 7.4)
1.8929874
Log P
4.8497095
Molar Refractivity
86.1176
Polarizability
33.548294
Polar Surface Area
62.22
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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