Molecule

ID:78387

General Information
Structure
MolImage
Molecular Formula
C₆H₈O
Molecular Mass
96.12712
Exact Mass
96.05751488
Charge
0
InChI
InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2
InChIKey
FWFSEYBSWVRWGL-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCC=C1
Isomeric Smiles
O=C1CCCC=C1
Calculated Properties
JChem
LogD (pH = 7.4)
1.49
LogD (pH = 5.5)
1.49
Log P
1.49
Rotatable Bonds
0
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
18.36
Polar Surface Area
17.07
Polarizability
10.42
Molar Refractivity
29.34
LOG S
-1.17
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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