Molecule

ID:91089

General Information
Structure
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Molecular Formula
C₇H₁₂O
Molecular Mass
112.16958
Exact Mass
112.088815
Charge
0
InChI
InChI=1S/C7H12O/c8-7-5-3-1-2-4-6-7/h1-6H2
InChIKey
CGZZMOTZOONQIA-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCCCC1
Isomeric Smiles
O=C1CCCCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.932763
LogD (pH = 7.4)
1.932763
Log P
1.932763
Molar Refractivity
32.8484
Polarizability
12.9650955
Polar Surface Area
17.07
Rotatable Bonds
0
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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