Molecule

ID:34341

General Information
Structure
MolImage
Molecular Formula
C₆H₉NO
Molecular Mass
111.14176
Exact Mass
111.06841391
Charge
0
InChI
InChI=1S/C6H9NO/c7-5-6-1-3-8-4-2-6/h6H,1-4H2
InChIKey
RLZJFTOYCVIYLE-UHFFFAOYSA-N
Canonic Smiles
N#CC1CCOCC1
Isomeric Smiles
C1COCCC1C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.25560895
LogD (pH = 7.4)
0.25560895
Log P
0.25560895
Molar Refractivity
30.3737
Polarizability
11.598407
Polar Surface Area
33.02
Rotatable Bonds
0
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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