Molecule

ID:117959

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃N₅
Molecular Mass
203.24372
Exact Mass
203.11709544
Charge
0
InChI
InChI=1S/C10H13N5/c1-6-4-7(2)13-10(12-6)15-9(11)5-8(3)14-15/h4-5H,11H2,1-3H3
InChIKey
DOJFXLDIDRNTEY-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)nc(n1)n1nc(cc1N)C
Isomeric Smiles
n1(c2nc(cc(n2)C)C)c(cc(n1)C)N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.46378443
LogD (pH = 7.4)
0.46875185
Log P
0.46881554
Molar Refractivity
58.7582
Polarizability
21.387342
Polar Surface Area
69.62
Rotatable Bonds
1
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
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References
Bioactivity
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