Molecule

ID:115103

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₄O
Molecular Mass
154.1698
Exact Mass
154.08546096
Charge
0
InChI
InChI=1S/C6H10N4O/c1-2-4-3-5(11)9-6(8-4)10-7/h3H,2,7H2,1H3,(H2,8,9,10,11)
InChIKey
WPIOYZBFXCKCMM-UHFFFAOYSA-N
Canonic Smiles
CCc1cc(=O)[nH]c(n1)NN
Isomeric Smiles
[nH]1c(nc(cc1=O)CC)NN
Calculated Properties
JChem
Acid pKa
11.20324
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.41165993
LogD (pH = 7.4)
-0.29424497
Log P
-0.29251006
Molar Refractivity
53.4685
Polarizability
15.348129
Polar Surface Area
79.51
Rotatable Bonds
2
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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