Molecule

ID:59223

General Information
Structure
MolImage
Molecular Formula
C₅H₉NO
Molecular Mass
99.13106
Exact Mass
99.06841391
Charge
0
InChI
InChI=1S/C5H9NO/c1-5(3-6)4-7-2/h5H,4H2,1-2H3
InChIKey
ZGQCHFHNSDAMCY-UHFFFAOYSA-N
Canonic Smiles
CC(C#N)COC
Isomeric Smiles
CC(COC)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.44048062
LogD (pH = 7.4)
0.44048062
Log P
0.44048062
Molar Refractivity
27.3503
Polarizability
10.482579
Polar Surface Area
33.02
Rotatable Bonds
2
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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