Molecule

ID:107641

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₂O₂
Molecular Mass
142.1558
Exact Mass
142.07422757
Charge
0
InChI
InChI=1S/C6H10N2O2/c1-6(2,8(9)10)4-3-5-7/h3-4H2,1-2H3
InChIKey
NBEZXTYDFSHDFX-UHFFFAOYSA-N
Canonic Smiles
N#CCCC([N+](=O)[O-])(C)C
Isomeric Smiles
CC(C)(CCC#N)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.7782925
LogD (pH = 7.4)
0.7782925
Log P
0.7782925
Molar Refractivity
36.1629
Polarizability
13.598604
Polar Surface Area
69.61
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
No Data Available
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Molecule Details
References
Bioactivity
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