Molecule
ID:24405
General Information
Molecular Formula
C₆H₁₂N₂O
Molecular Mass
128.17228
Exact Mass
128.09496301
Charge
0
InChI
InChI=1S/C6H12N2O/c1-9-6-5-8-4-2-3-7/h8H,2,4-6H2,1H3
InChIKey
CNZQGODWWMVZPT-UHFFFAOYSA-N
Canonic Smiles
COCCNCCC#N
Isomeric Smiles
N#CCCNCCOC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.3239264
LogD (pH = 7.4)
-0.7525876
Log P
-0.46690908
Molar Refractivity
35.5002
Polarizability
13.847513
Polar Surface Area
45.05
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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