Molecule
ID:124127
General Information
Molecular Formula
C₁₅H₁₃N₅O₂
Molecular Mass
295.29602
Exact Mass
295.10692468
Charge
0
InChI
InChI=1S/C15H13N5O2/c16-12-3-1-2-11(7-12)15-17-19-20(18-15)8-10-4-5-13-14(6-10)22-9-21-13/h1-7H,8-9,16H2
InChIKey
SOJYURJLXXNUBQ-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)c1nnn(n1)Cc1ccc2c(c1)OCO2
Isomeric Smiles
n1c(nnn1Cc1cc2c(OCO2)cc1)c1cc(N)ccc1
Calculated Properties
JChem
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
2.8187437
LogD (pH = 7.4)
2.8204086
Log P
2.8204298
Molar Refractivity
103.7161
Polarizability
30.623373
Polar Surface Area
88.08
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
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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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