Molecule

ID:27332

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₄O
Molecular Mass
154.1698
Exact Mass
154.08546096
Charge
0
InChI
InChI=1S/C6H10N4O/c1-2-10-5(3-4-8-10)6(11)9-7/h3-4H,2,7H2,1H3,(H,9,11)
InChIKey
WQLSSKUSMVWFIQ-UHFFFAOYSA-N
Canonic Smiles
CCn1nccc1C(=O)NN
Isomeric Smiles
c1(n(ncc1)CC)C(=O)NN
Calculated Properties
JChem
Acid pKa
13.880942
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.7687813
LogD (pH = 7.4)
-0.7679314
Log P
-0.76792043
Molar Refractivity
53.15
Polarizability
15.057868
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
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Molecule Details
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References
Bioactivity
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