Molecule

ID:24978

General Information
Structure
MolImage
Molecular Formula
C₁₂H₇F₃O₂
Molecular Mass
240.1779896
Exact Mass
240.03981412
Charge
0
InChI
InChI=1S/C12H7F3O2/c13-12(14,15)9-3-1-2-8(6-9)11-5-4-10(7-16)17-11/h1-7H
InChIKey
MRVWKXZQBOFMAW-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(o1)c1cccc(c1)C(F)(F)F
Isomeric Smiles
c1(oc(cc1)C=O)c1cc(C(F)(F)F)ccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1910698
LogD (pH = 7.4)
3.1910698
Log P
3.1910698
Molar Refractivity
56.0203
Polarizability
21.107958
Polar Surface Area
30.21
Rotatable Bonds
3
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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