Molecule

ID:33245

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₄O
Molecular Mass
154.1698
Exact Mass
154.08546096
Charge
0
InChI
InChI=1S/C6H10N4O/c1-5-2-3-10(9-5)4-6(11)8-7/h2-3H,4,7H2,1H3,(H,8,11)
InChIKey
FEIAQNUMUGJOSO-UHFFFAOYSA-N
Canonic Smiles
Cc1ccn(n1)CC(=O)NN
Isomeric Smiles
n1(nc(cc1)C)CC(=O)NN
Calculated Properties
JChem
Acid pKa
12.169209
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.0971258
LogD (pH = 7.4)
-1.0930187
Log P
-1.0929589
Molar Refractivity
51.9438
Polarizability
15.256616
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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