Molecule

ID:90510

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₂O₂
Molecular Mass
198.30188
Exact Mass
198.16197994
Charge
0
InChI
InChI=1S/C12H22O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h11H,2-10H2,1H3
InChIKey
QRPLZGZHJABGRS-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCC1CCCC(=O)O1
Isomeric Smiles
O1C(CCCCCCC)CCCC1=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7560606
LogD (pH = 7.4)
3.7560606
Log P
3.7560606
Molar Refractivity
56.8569
Polarizability
22.865665
Polar Surface Area
26.3
Rotatable Bonds
6
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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