Molecule

ID:41815

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₄O
Molecular Mass
190.2019
Exact Mass
190.08546096
Charge
0
InChI
InChI=1S/C9H10N4O/c10-7-5-3-1-2-4-6(5)12-8(7)9(14)13-11/h1-4,12H,10-11H2,(H,13,14)
InChIKey
LNPDDCYXLWMYKF-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1[nH]c2c(c1N)cccc2
Isomeric Smiles
c1([nH]c2c(c1N)cccc2)C(=O)NN
Calculated Properties
JChem
Acid pKa
15.100123
H Acceptors
3
H Donor
4
LogD (pH = 5.5)
0.3658359
LogD (pH = 7.4)
0.36722976
Log P
0.36724758
Molar Refractivity
55.2849
Polarizability
20.933054
Polar Surface Area
96.93
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
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Molecule Details
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References
Bioactivity
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