Molecule

ID:79664

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₂O
Molecular Mass
182.30248
Exact Mass
182.16706532
Charge
0
InChI
InChI=1S/C12H22O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h1-11H2
InChIKey
SXVPOSFURRDKBO-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCCCCCCCCC1
Isomeric Smiles
O=C1CCCCCCCCCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.1556063
LogD (pH = 7.4)
4.1556063
Log P
4.1556063
Molar Refractivity
55.8534
Polarizability
22.187208
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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