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[(E)-[amino-[3-(trifluoromethyl)phenyl]methylidene]amino] 5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxylate

Formula:C20H11N2O3ClF6 Mutagenic:high Tumorigenic:none Reproductive Effective:high [(E)-[amino-[3-(trifluoromethyl)phenyl]methylidene]amino] 5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxylate is not a drug-like molecule.
MolName[(E)-[amino-[3-(trifluoromethyl)phenyl]methylidene]amino] 5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxylate
MolecularFormulaC20H11N2O3ClF6
SmilesN/C(/c1cc(C(F)(F)F)ccc1)=N/OC(c1c(C(F)(F)F)oc(-c(cc2)ccc2Cl)c1)=O
InChIInChI=1S/C20H11ClF6N2O3/c21-13-6-4-10(5-7-13)15-9-14(16(31-15)20(25,26)27)18(30)32-29-17(28)11-2-1-3-12(8-11)19(22,23)24/h1-9H,(H2,28,29)
InChIKKIJNYGQOSTZQCS-UHFFFAOYSA-N
TotalMolweight476.759
Molweight476.759
MonoisotopicMass476.036238
CLogP6.3136
CLogS-7.288
H Acceptors5
H Donors1
TotalSurfaceArea316.05
Relative PSA0.20228
PolarSurfaceArea77.82
Druglikeness-10.664
Mutagenichigh
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.53125
Fragments1
Non HAtoms32
NonCHAtoms12
Electronegative Atoms12
Rotatable Bond7
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms3
Symmetricatoms6
StereoCon

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