Molecule

ID:58600

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₄O
Molecular Mass
154.1698
Exact Mass
154.08546096
Charge
0
InChI
InChI=1S/C6H10N4O/c1-2-10-4-5(3-8-10)6(11)9-7/h3-4H,2,7H2,1H3,(H,9,11)
InChIKey
SNZPIIOFDLASCV-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1cnn(c1)CC
Isomeric Smiles
c1c(cnn1CC)C(=O)NN
Calculated Properties
JChem
Acid pKa
12.868048
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.68861806
LogD (pH = 7.4)
-0.68793166
Log P
-0.6879216
Molar Refractivity
53.2725
Polarizability
15.056261
Polar Surface Area
72.94
Rotatable Bonds
2
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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