Molecule

ID:115067

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇N₅
Molecular Mass
267.32898
Exact Mass
267.14839557
Charge
0
InChI
InChI=1S/C15H17N5/c1-9-6-4-5-7-12(9)14-11(3)19-20-13(18-16)8-10(2)17-15(14)20/h4-8,18H,16H2,1-3H3
InChIKey
UQJJJQQLNRHBDY-UHFFFAOYSA-N
Canonic Smiles
NNc1cc(C)nc2n1nc(c2c1ccccc1C)C
Isomeric Smiles
n12c(c(c(n1)C)c1c(C)cccc1)nc(cc2NN)C
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.4782424
LogD (pH = 7.4)
2.5562031
Log P
2.5572934
Molar Refractivity
92.094
Polarizability
31.211967
Polar Surface Area
68.24
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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