Molecule

ID:27331

General Information
Structure
Molecular Formula
C₆H₁₀N₄O
Molecular Mass
154.1698
Exact Mass
154.08546096
Charge
0
InChI
InChI=1S/C6H10N4O/c1-2-10-4-3-5(9-10)6(11)8-7/h3-4H,2,7H2,1H3,(H,8,11)
InChIKey
FISKYJZRFJOKDJ-UHFFFAOYSA-N
Canonic Smiles
CCn1ccc(n1)C(=O)NN
Isomeric Smiles
c1(nn(cc1)CC)C(=O)NN
Calculated Properties
JChem
Acid pKa
13.650635
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.30263266
LogD (pH = 7.4)
-0.30207855
Log P
-0.30207124
Molar Refractivity
52.9005
Polarizability
15.060391
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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