Molecule

ID:59142

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄N₄O
Molecular Mass
182.22296
Exact Mass
182.11676109
Charge
0
InChI
InChI=1S/C8H14N4O/c1-3-7(8(13)11-9)12-5-6(2)4-10-12/h4-5,7H,3,9H2,1-2H3,(H,11,13)
InChIKey
KCPIQZGFVRVTIN-UHFFFAOYSA-N
Canonic Smiles
CCC(n1cc(cn1)C)C(=O)NN
Isomeric Smiles
n1cc(cn1C(C(=O)NN)CC)C
Calculated Properties
JChem
Acid pKa
12.3934355
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.37705177
LogD (pH = 7.4)
0.38033268
Log P
0.3803789
Molar Refractivity
61.4114
Polarizability
18.920736
Polar Surface Area
72.94
Rotatable Bonds
3
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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