Molecule

ID:132911

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂N₂O
Molecular Mass
128.17228
Exact Mass
128.09496301
Charge
0
InChI
InChI=1S/C6H12N2O/c9-7-8-5-3-1-2-4-6-8/h1-6H2
InChIKey
UZMVSVHUTOAPTD-UHFFFAOYSA-N
Canonic Smiles
O=NN1CCCCCC1
Isomeric Smiles
C1CCCN(CC1)N=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.333061
LogD (pH = 7.4)
1.3335425
Log P
1.3335487
Molar Refractivity
36.7935
Polarizability
13.534406
Polar Surface Area
32.67
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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