Molecule

ID:43319

General Information
Structure
MolImage
Molecular Formula
C₉H₇ClF₃NO₃
Molecular Mass
269.6049896
Exact Mass
269.00665543
Charge
0
InChI
InChI=1S/C9H7ClF3NO3/c1-16-7-6(10)5(8(15)17-2)4(3-14-7)9(11,12)13/h3H,1-2H3
InChIKey
IOUWPDLFYDXVRL-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1c(Cl)c(OC)ncc1C(F)(F)F
Isomeric Smiles
c1(c(C(F)(F)F)cnc(c1Cl)OC)C(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.6777296
LogD (pH = 7.4)
2.6777298
Log P
2.6777298
Molar Refractivity
53.4816
Polarizability
19.887495
Polar Surface Area
48.42
Rotatable Bonds
4
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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