Molecule

ID:92766

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₄O
Molecular Mass
190.2019
Exact Mass
190.08546096
Charge
0
InChI
InChI=1S/C9H10N4O/c1-6-8(9(14)12-10)13-5-3-2-4-7(13)11-6/h2-5H,10H2,1H3,(H,12,14)
InChIKey
IOWSGEGUOPGCBC-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1c(C)nc2n1cccc2
Isomeric Smiles
n1c2ccccn2c(c1C)C(=O)NN
Calculated Properties
JChem
Acid pKa
15.485393
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.6938457
LogD (pH = 7.4)
-0.6357105
Log P
-0.6349147
Molar Refractivity
53.9679
Polarizability
19.337027
Polar Surface Area
72.42
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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