Molecule

ID:27108

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂N₂O
Molecular Mass
116.16158
Exact Mass
116.09496301
Charge
0
InChI
InChI=1S/C5H12N2O/c1-2-3-4-5(8)7-6/h2-4,6H2,1H3,(H,7,8)
InChIKey
PJBQYCIDGYKEMN-UHFFFAOYSA-N
Canonic Smiles
CCCCC(=O)NN
Isomeric Smiles
C(=O)(NN)CCCC
Calculated Properties
JChem
Acid pKa
13.455633
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.2603557
LogD (pH = 7.4)
0.26287654
Log P
0.26290914
Molar Refractivity
32.7789
Polarizability
12.581209
Polar Surface Area
55.12
Rotatable Bonds
3
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
No Data Available
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Molecule Details
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References
Bioactivity
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