Molecule

ID:33242

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄N₄O
Molecular Mass
182.22296
Exact Mass
182.11676109
Charge
0
InChI
InChI=1S/C8H14N4O/c1-6-5-7(2)12(11-6)4-3-8(13)10-9/h5H,3-4,9H2,1-2H3,(H,10,13)
InChIKey
ZXLNFPQNUBZTFQ-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(nn1CCC(=O)NN)C
Isomeric Smiles
n1(nc(cc1C)C)CCC(=O)NN
Calculated Properties
JChem
Acid pKa
12.681623
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.6619529
LogD (pH = 7.4)
-0.65645736
Log P
-0.6563849
Molar Refractivity
61.7929
Polarizability
18.842459
Polar Surface Area
72.94
Rotatable Bonds
3
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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