Molecule

ID:41422

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉F₃O₄
Molecular Mass
274.1926696
Exact Mass
274.04529343
Charge
0
InChI
InChI=1S/C12H9F3O4/c1-18-10(16)6-7-19-11(17)8-2-4-9(5-3-8)12(13,14)15/h2-7H,1H3/b7-6+
InChIKey
PCVMIBKJGDEZEK-VOTSOKGWSA-N
Canonic Smiles
COC(=O)/C=C/OC(=O)c1ccc(cc1)C(F)(F)F
Isomeric Smiles
C(=C\OC(=O)c1ccc(cc1)C(F)(F)F)/C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1646113
LogD (pH = 7.4)
3.1646113
Log P
3.1646113
Molar Refractivity
59.8339
Polarizability
22.129593
Polar Surface Area
52.6
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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