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(E)-2-cyano-N-[3-(trifluoromethyl)phenyl]-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enamide

Formula:C22H12N2O2F6 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-cyano-N-[3-(trifluoromethyl)phenyl]-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enamide is not a drug-like molecule.
MolName(E)-2-cyano-N-[3-(trifluoromethyl)phenyl]-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enamide
MolecularFormulaC22H12N2O2F6
SmilesN#C/C(/C(Nc1cccc(C(F)(F)F)c1)=O)=C\c1ccc(-c2cc(C(F)(F)F)ccc2)o1
InChIInChI=1S/C22H12F6N2O2/c23-21(24,25)15-4-1-3-13(9-15)19-8-7-18(32-19)10-14(12-29)20(31)30-17-6-2-5-16(11-17)22(26,27)28/h1-11H,(H,30,31)
InChIKUFGJAISMADDNSR-UHFFFAOYSA-N
TotalMolweight450.337
Molweight450.337
MonoisotopicMass450.080296
CLogP5.6238
CLogS-6.786
H Acceptors4
H Donors1
TotalSurfaceArea317.02
Relative PSA0.16456
PolarSurfaceArea66.03
Druglikeness-7.9519
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionstwice activated DB
Shape Index0.53125
Fragments1
Non HAtoms32
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond6
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms2
Symmetricatoms4
Amides1
StereoCon

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