Molecule

ID:34498

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂N₂O
Molecular Mass
116.16158
Exact Mass
116.09496301
Charge
0
InChI
InChI=1S/C5H12N2O/c1-4(6-2)5(8)7-3/h4,6H,1-3H3,(H,7,8)
InChIKey
GFQCCPONSFHKMZ-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)C(NC)C
Isomeric Smiles
C(=O)(C(NC)C)NC
Calculated Properties
JChem
Acid pKa
16.192389
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.7441623
LogD (pH = 7.4)
-2.2392118
Log P
-0.7293975
Molar Refractivity
31.9908
Polarizability
12.678941
Polar Surface Area
41.13
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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