Molecule

ID:61065

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉N₅
Molecular Mass
199.21196
Exact Mass
199.08579531
Charge
0
InChI
InChI=1S/C10H9N5/c1-6-12-9(11)14-10-13-7-4-2-3-5-8(7)15(6)10/h2-5H,1H3,(H2,11,13,14)
InChIKey
JYUMVHXSEQXABG-UHFFFAOYSA-N
Canonic Smiles
Nc1nc2nc3c(n2c(n1)C)cccc3
Isomeric Smiles
c12n(c(nc(n1)N)C)c1c(n2)cccc1
Calculated Properties
JChem
Acid pKa
15.904603
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.39070836
LogD (pH = 7.4)
0.49687943
Log P
0.49842826
Molar Refractivity
59.0065
Polarizability
21.924896
Polar Surface Area
69.1
Rotatable Bonds
0
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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