Molecule
ID:58228
General Information
Molecular Formula
C₆H₁₃N₃O
Molecular Mass
143.18692
Exact Mass
143.10586205
Charge
0
InChI
InChI=1S/C6H13N3O/c7-9-6(10)5-1-3-8-4-2-5/h5,8H,1-4,7H2,(H,9,10)
InChIKey
ARKTVCBOWGYYFS-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C1CCNCC1
Isomeric Smiles
C1NCCC(C1)C(=O)NN
Calculated Properties
JChem
Acid pKa
13.152838
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-4.4516625
LogD (pH = 7.4)
-3.8646
Log P
-1.2231861
Molar Refractivity
39.3816
Polarizability
15.226019
Polar Surface Area
67.15
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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