Molecule
ID:33378
General Information
Molecular Formula
C₅H₁₃N₃O
Molecular Mass
131.17622
Exact Mass
131.10586205
Charge
0
InChI
InChI=1S/C5H13N3O/c1-2-7-4-3-5(9)8-6/h7H,2-4,6H2,1H3,(H,8,9)
InChIKey
GTTKTJSYFBDACP-UHFFFAOYSA-N
Canonic Smiles
CCNCCC(=O)NN
Isomeric Smiles
C(=O)(CCNCC)NN
Calculated Properties
JChem
Acid pKa
13.373123
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-4.424658
LogD (pH = 7.4)
-3.4888334
Log P
-1.2244928
Molar Refractivity
36.5323
Polarizability
14.110443
Polar Surface Area
67.15
Rotatable Bonds
4
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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