Molecule
ID:73703
General Information
Molecular Formula
C₁₂H₂₂O₂
Molecular Mass
198.30188
Exact Mass
198.16197994
Charge
0
InChI
InChI=1S/C12H22O2/c1-4-14-12(13)10-8-6-5-7-9-11(2)3/h2,4-10H2,1,3H3
InChIKey
HBTLUNBEMCNBPS-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCCCCCC(=C)C
Isomeric Smiles
O(C(=O)CCCCCCC(=C)C)CC
Calculated Properties
JChem
Polarizability
23.35703
Polar Surface Area
26.3
Rotatable Bonds
9
Lipinski's Rule of Five
true
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.5866773
LogD (pH = 7.4)
3.5866773
Log P
3.5866773
Molar Refractivity
58.7204
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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