Molecule

ID:122862

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄O
Molecular Mass
184.31836
Exact Mass
184.18271539
Charge
0
InChI
InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-12-11-13-12/h12H,2-11H2,1H3
InChIKey
MPGABYXKKCLIRW-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCC1OC1
Isomeric Smiles
O1CC1CCCCCCCCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.4486713
LogD (pH = 7.4)
4.4486713
Log P
4.4486713
Molar Refractivity
56.7943
Polarizability
22.812204
Polar Surface Area
12.53
Rotatable Bonds
9
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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