Molecule
ID:23556
General Information
Molecular Formula
C₅H₁₂N₂O₂
Molecular Mass
132.16098
Exact Mass
132.08987763
Charge
0
InChI
InChI=1S/C5H12N2O2/c1-4(2)9-3-5(8)7-6/h4H,3,6H2,1-2H3,(H,7,8)
InChIKey
HCPZUDXZHRFUFN-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)COC(C)C
Isomeric Smiles
C(=O)(NN)COC(C)C
Calculated Properties
JChem
Acid pKa
12.699674
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.72975254
LogD (pH = 7.4)
-0.72753304
Log P
-0.7275026
Molar Refractivity
34.5708
Polarizability
13.3093605
Polar Surface Area
64.35
Rotatable Bonds
3
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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