Molecule

ID:34331

General Information
Structure
Molecular Formula
C₆H₉NO
Molecular Mass
111.14176
Exact Mass
111.06841391
Charge
0
InChI
InChI=1S/C6H9NO/c1-6(5-7)3-2-4-8-6/h2-4H2,1H3
InChIKey
ANKPAVMLGPOZOZ-UHFFFAOYSA-N
Canonic Smiles
N#CC1(C)CCCO1
Isomeric Smiles
C1OC(CC1)(C#N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.7110013
LogD (pH = 7.4)
0.7110013
Log P
0.7110013
Molar Refractivity
30.076
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
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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