Molecule

ID:13826

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉N₅
Molecular Mass
199.21196
Exact Mass
199.08579531
Charge
0
InChI
InChI=1S/C10H9N5/c1-6-12-8-5-3-2-4-7(8)9-13-10(11)14-15(6)9/h2-5H,1H3,(H2,11,14)
InChIKey
VPYUIGUODVUCTQ-UHFFFAOYSA-N
Canonic Smiles
Nc1nn2c(n1)c1ccccc1nc2C
Isomeric Smiles
c12c3n(c(nc1cccc2)C)nc(n3)N
Calculated Properties
JChem
Acid pKa
14.985703
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.3141688
LogD (pH = 7.4)
1.3146981
Log P
1.3147049
Molar Refractivity
68.113
Polarizability
21.920792
Polar Surface Area
69.1
Rotatable Bonds
0
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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