Molecule

ID:90540

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O
Molecular Mass
98.143
Exact Mass
98.07316494
Charge
0
InChI
InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3
InChIKey
MBDOYVRWFFCFHM-UHFFFAOYSA-N
Canonic Smiles
CCC/C=C/C=O
Isomeric Smiles
O=C/C=C/CCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6501033
LogD (pH = 7.4)
1.6501033
Log P
1.6501033
Molar Refractivity
31.2415
Polarizability
11.614851
Polar Surface Area
17.07
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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