Molecule
ID:120360
General Information
Molecular Formula
C₁₅H₁₃N₅
Molecular Mass
263.29722
Exact Mass
263.11709544
Charge
0
InChI
InChI=1S/C15H13N5/c16-18-15-17-13(11-7-3-1-4-8-11)14(19-20-15)12-9-5-2-6-10-12/h1-10H,16H2,(H,17,18,20)
InChIKey
CBWZPMAODJSGAT-UHFFFAOYSA-N
Canonic Smiles
NNc1nnc(c(n1)c1ccccc1)c1ccccc1
Isomeric Smiles
c1(nnc(nc1c1ccccc1)NN)c1ccccc1
Calculated Properties
JChem
Acid pKa
14.195911
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
3.0818908
LogD (pH = 7.4)
3.1606402
Log P
3.2065456
Molar Refractivity
81.7667
Polarizability
32.2353
Polar Surface Area
76.72
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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