Molecule

ID:67676

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂N₂O
Molecular Mass
128.17228
Exact Mass
128.09496301
Charge
0
InChI
InChI=1S/C6H12N2O/c7-5(9)6(8)3-1-2-4-6/h1-4,8H2,(H2,7,9)
InChIKey
YGVGITVCEHRBDK-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C1(N)CCCC1
Isomeric Smiles
C1(CCCC1)(C(=O)N)N
Calculated Properties
JChem
Acid pKa
16.355719
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.2021039
LogD (pH = 7.4)
-1.7395368
Log P
-0.37156916
Molar Refractivity
34.2786
Polarizability
13.794192
Polar Surface Area
69.11
Rotatable Bonds
1
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
References
Bioactivity
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