Molecule

ID:41757

General Information
Structure
MolImage
Molecular Formula
C₈H₅F₃O₂
Molecular Mass
190.1193096
Exact Mass
190.02416406
Charge
0
InChI
InChI=1S/C8H5F3O2/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3H,1H3
InChIKey
NBBPHMUHCCIOJQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(F)c(c(c1)F)F
Isomeric Smiles
c1(c(cc(C(=O)OC)cc1F)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4048285
LogD (pH = 7.4)
2.4048285
Log P
2.4048285
Molar Refractivity
38.7325
Polarizability
14.163364
Polar Surface Area
26.3
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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