Molecule

ID:16683

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂N₂O₂
Molecular Mass
156.18238
Exact Mass
156.08987763
Charge
0
InChI
InChI=1S/C7H12N2O2/c1-6-2-4-9(8-6)5-3-7(10)11/h2-5H2,1H3,(H,10,11)
InChIKey
OMGIZEDLXGDIKX-UHFFFAOYSA-N
Canonic Smiles
CC1=NN(CC1)CCC(=O)O
Isomeric Smiles
N1(N=C(CC1)C)CCC(=O)O
Calculated Properties
JChem
Acid pKa
4.587412
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.3598844
LogD (pH = 7.4)
-3.1280637
Log P
-0.6399973
Molar Refractivity
40.2696
Polarizability
15.603924
Polar Surface Area
52.9
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
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Molecule Details
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References
Bioactivity
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