Molecule

ID:96501

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂F₂O₂
Molecular Mass
226.2192864
Exact Mass
226.08053606
Charge
0
InChI
InChI=1S/C12H12F2O2/c13-10-4-8(5-11(14)6-10)7-16-12(15)9-2-1-3-9/h4-6,9H,1-3,7H2
InChIKey
CTPXRHCAPYKLGS-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCC1)OCc1cc(F)cc(c1)F
Isomeric Smiles
O(C(=O)C1CCC1)Cc1cc(cc(c1)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1567903
LogD (pH = 7.4)
3.1567903
Log P
3.1567903
Molar Refractivity
54.4584
Polarizability
20.842846
Polar Surface Area
26.3
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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