Molecule

ID:94873

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₃F₃O
Molecular Mass
230.2262296
Exact Mass
230.0918497
Charge
0
InChI
InChI=1S/C12H13F3O/c1-2-3-4-9-5-7-10(8-6-9)11(16)12(13,14)15/h5-8H,2-4H2,1H3
InChIKey
XIVOMWSWGCFRNB-UHFFFAOYSA-N
Canonic Smiles
CCCCc1ccc(cc1)C(=O)C(F)(F)F
Isomeric Smiles
O=C(c1ccc(cc1)CCCC)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.5103493
LogD (pH = 7.4)
4.5103493
Log P
4.5103493
Molar Refractivity
56.3152
Polarizability
20.596107
Polar Surface Area
17.07
Rotatable Bonds
5
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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