[4-[(Z)-1-cyano-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate

Formula:C25H13NO2ClF3S Mutagenic:high Tumorigenic:high Reproductive Effective:high [4-[(Z)-1-cyano-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate is not a drug-like molecule.

MolName	[4-[(Z)-1-cyano-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl] 3-chloro-1-benzothiophene-2-carboxylate
MolecularFormula	C25H13NO2ClF3S
Smiles	N#C/C(/c(cc1)ccc1OC(c(sc1c2cccc1)c2Cl)=O)=C\c1ccc(C(F)(F)F)cc1
InChI	InChI=1S/C25H13ClF3NO2S/c26-22-20-3-1-2-4-21(20)33-23(22)24(31)32-19-11-7-16(8-12-19)17(14-30)13-15-5-9-18(10-6-15)25(27,28)29/h1-13H
InChIK	JHUBCUMULRYVFV-UHFFFAOYSA-N
TotalMolweight	483.896
Molweight	483.896
MonoisotopicMass	483.03076
CLogP	7.1386
CLogS	-7.962
H Acceptors	3
TotalSurfaceArea	342.37
Relative PSA	0.16637
PolarSurfaceArea	78.33
Druglikeness	-10.069
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	3-halo-enone
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	6
StereoCon

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