Molecule

ID:41862

General Information
Structure
MolImage
Molecular Formula
C₁₂H₇Cl₂F₃N₂O₂
Molecular Mass
339.0973896
Exact Mass
337.98366749
Charge
0
InChI
InChI=1S/C12H7Cl2F3N2O2/c1-19-11(7(5-20)10(18-19)12(15,16)17)21-9-3-2-6(13)4-8(9)14/h2-5H,1H3
InChIKey
CMSJMPQRMWUIIJ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(Oc2ccc(cc2Cl)Cl)n(nc1C(F)(F)F)C
Isomeric Smiles
c1(c(c(n(n1)C)Oc1c(cc(cc1)Cl)Cl)C=O)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.1749744
LogD (pH = 7.4)
4.1749744
Log P
4.1749744
Molar Refractivity
82.2508
Polarizability
26.387299
Polar Surface Area
44.12
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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