Molecule

ID:59276

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂N₂O
Molecular Mass
128.17228
Exact Mass
128.09496301
Charge
0
InChI
InChI=1S/C6H12N2O/c1-5-3-7-6(9)8(2)4-5/h5H,3-4H2,1-2H3,(H,7,9)
InChIKey
JXLBOVNBPLHYNZ-UHFFFAOYSA-N
Canonic Smiles
CN1CC(C)CNC1=O
Isomeric Smiles
C1(CNC(=O)N(C1)C)C
Calculated Properties
JChem
Acid pKa
14.473899
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.32504734
LogD (pH = 7.4)
-0.32504734
Log P
-0.3250473
Molar Refractivity
35.1455
Polarizability
13.415068
Polar Surface Area
32.34
Rotatable Bonds
0
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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