Molecule

ID:96094

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇ClF₆N₂O₂
Molecular Mass
348.6288992
Exact Mass
348.01002447
Charge
0
InChI
InChI=1S/C11H7ClF6N2O2/c12-4-8(19)20-22-9(21)5-1-6(10(13,14)15)3-7(2-5)11(16,17)18/h1-3H,4H2,(H2,19,20)
InChIKey
DLYWEXYHFHDOLV-UHFFFAOYSA-N
Canonic Smiles
ClC/C(=N/OC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)/N
Isomeric Smiles
N(=C(\N)/CCl)\OC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.526293
LogD (pH = 7.4)
3.5264642
Log P
3.5264664
Molar Refractivity
64.9323
Polarizability
23.377337
Polar Surface Area
64.68
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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