Molecule

ID:66005

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₂O
Molecular Mass
126.1564
Exact Mass
126.07931295
Charge
0
InChI
InChI=1S/C6H10N2O/c1-4(2)5-3-6(7)9-8-5/h3-4H,7H2,1-2H3
InChIKey
GHLVMBXOBZVJIC-UHFFFAOYSA-N
Canonic Smiles
CC(c1noc(c1)N)C
Isomeric Smiles
c1c(noc1N)C(C)C
Calculated Properties
JChem
Acid pKa
15.999067
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.97243875
LogD (pH = 7.4)
0.9730409
Log P
0.97304857
Molar Refractivity
35.2466
Polarizability
12.910491
Polar Surface Area
52.05
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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