Molecule

ID:33091

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂N₂O
Molecular Mass
116.16158
Exact Mass
116.09496301
Charge
0
InChI
InChI=1S/C5H12N2O/c1-2-5(8)7-4-3-6/h2-4,6H2,1H3,(H,7,8)
InChIKey
SUYTZMWLZYCZEF-UHFFFAOYSA-N
Canonic Smiles
NCCNC(=O)CC
Isomeric Smiles
C(=O)(NCCN)CC
Calculated Properties
JChem
Acid pKa
16.328428
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.8448675
LogD (pH = 7.4)
-2.6511817
Log P
-0.9030602
Molar Refractivity
31.9393
Polarizability
12.678941
Polar Surface Area
55.12
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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