Molecule
ID:110224
General Information
Molecular Formula
C₁₂H₂₀O
Molecular Mass
180.2866
Exact Mass
180.15141526
Charge
0
InChI
InChI=1S/C12H20O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h10-11H,1-9H2
InChIKey
UOBQDYFTAJKQAL-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCCC1C1CCCCC1
Isomeric Smiles
O=C1CCCCC1C1CCCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6327484
LogD (pH = 7.4)
3.6327484
Log P
3.6327484
Molar Refractivity
53.9723
Polarizability
21.45172
Polar Surface Area
17.07
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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