Molecule
ID:42140
General Information
Molecular Formula
C₅H₁₂N₂O₂
Molecular Mass
132.16098
Exact Mass
132.08987763
Charge
0
InChI
InChI=1S/C5H12N2O2/c1-9-4-2-3-7-5(6)8/h2-4H2,1H3,(H3,6,7,8)
InChIKey
SJCBTGYXKOFNHX-UHFFFAOYSA-N
Canonic Smiles
COCCCNC(=O)N
Isomeric Smiles
C(=O)(NCCCOC)N
Calculated Properties
JChem
Acid pKa
15.530819
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.1271735
LogD (pH = 7.4)
-1.1271735
Log P
-1.1271735
Molar Refractivity
33.9482
Polarizability
13.035618
Polar Surface Area
64.35
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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