Molecule

ID:22228

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O
Molecular Mass
98.143
Exact Mass
98.07316494
Charge
0
InChI
InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h5H,2-4H2,1H3
InChIKey
ZIXLDMFVRPABBX-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCC1C
Isomeric Smiles
O=C1C(C)CCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5866119
LogD (pH = 7.4)
1.5866119
Log P
1.5866119
Molar Refractivity
28.2209
Polarizability
11.123001
Polar Surface Area
17.07
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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