Molecule

ID:32207

General Information
Structure
Molecular Formula
C₆H₁₁NO
Molecular Mass
113.15764
Exact Mass
113.08406398
Charge
0
InChI
InChI=1S/C6H11NO/c1-6(2)8-5-3-4-7/h6H,3,5H2,1-2H3
InChIKey
BMSYXLRQGIFLFO-UHFFFAOYSA-N
Canonic Smiles
CC(OCCC#N)C
Isomeric Smiles
N#CCCOC(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.67087734
LogD (pH = 7.4)
0.67087734
Log P
0.67087734
Molar Refractivity
31.9432
Polarizability
12.318524
Polar Surface Area
33.02
Rotatable Bonds
3
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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