Molecule

ID:60769

General Information
Structure
Molecular Formula
C₁₉H₁₆N₂O
Molecular Mass
288.34314
Exact Mass
288.12626314
Charge
0
InChI
InChI=1S/C19H16N2O/c22-19-11-14(13-6-2-1-3-7-13)10-18-15(19)12-20-16-8-4-5-9-17(16)21-18/h1-9,12,14,21H,10-11H2
InChIKey
AVZHPRSGDWHVBF-UHFFFAOYSA-N
Canonic Smiles
O=C1CC(CC2=C1C=Nc1c(N2)cccc1)c1ccccc1
Isomeric Smiles
C12=C(Nc3c(N=C2)cccc3)CC(CC1=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
8.771704
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.1313035
LogD (pH = 7.4)
3.114374
Log P
3.131528
Molar Refractivity
91.8576
Polarizability
33.049625
Polar Surface Area
41.46
Rotatable Bonds
1
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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