Molecule

ID:112186

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₆N₄O
Molecular Mass
292.33514
Exact Mass
292.13241115
Charge
0
InChI
InChI=1S/C17H16N4O/c1-12-15(17(22)21-18-12)19-20-16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,16H,1H3,(H2,18,21,22)
InChIKey
YWCRRUHKZAVZPC-UHFFFAOYSA-N
Canonic Smiles
Cc1n[nH]c(c1/N=N/C(c1ccccc1)c1ccccc1)O
Isomeric Smiles
Cc1n[nH]c(O)c1/N=N/C(c1ccccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.4821305
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.4560323
LogD (pH = 7.4)
2.2785087
Log P
3.8586624
Molar Refractivity
86.9937
Polarizability
32.199272
Polar Surface Area
73.63
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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