Molecule

ID:74237

General Information
Structure
Molecular Formula
C₁₄H₁₀N₄O₂
Molecular Mass
266.2548
Exact Mass
266.08037558
Charge
0
InChI
InChI=1S/C14H10N4O2/c19-18-13-7-6-11-10(14(13)17-20-18)8-12(16-15-11)9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKey
GFEMPVPBJKWUBS-UHFFFAOYSA-N
Canonic Smiles
[O-][n+]1onc2c1CCc1c2cc(nn1)c1ccccc1
Isomeric Smiles
n1nc(cc2c1CCc1[n+](onc21)[O-])c1ccccc1
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.0975736
LogD (pH = 7.4)
1.0975996
Log P
1.0976
Molar Refractivity
94.6022
Polarizability
28.852076
Polar Surface Area
77.27
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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