Molecule
ID:60636
General Information
Molecular Formula
C₅H₁₂N₂O
Molecular Mass
116.16158
Exact Mass
116.09496301
Charge
0
InChI
InChI=1S/C5H12N2O/c1-3-4(7-2)5(6)8/h4,7H,3H2,1-2H3,(H2,6,8)
InChIKey
BKAZZDOUYHGNDR-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)N)NC
Isomeric Smiles
C(=O)(C(NC)CC)N
Calculated Properties
JChem
Acid pKa
16.634155
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.49655
LogD (pH = 7.4)
-2.0724127
Log P
-0.43055114
Molar Refractivity
31.6181
Polarizability
12.678941
Polar Surface Area
55.12
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
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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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