Molecule

ID:90496

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂O₂
Molecular Mass
116.15828
Exact Mass
116.08372962
Charge
0
InChI
InChI=1S/C6H12O2/c1-3-6-7-4-5(2)8-6/h5-6H,3-4H2,1-2H3
InChIKey
CSZCLQLJVFLXLI-UHFFFAOYSA-N
Canonic Smiles
CCC1OCC(O1)C
Isomeric Smiles
O1C(OCC1C)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2991309
LogD (pH = 7.4)
1.2991309
Log P
1.2991309
Molar Refractivity
30.6264
Polarizability
12.446784
Polar Surface Area
18.46
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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