(E)-2-cyano-N-(9,10-dioxoanthracen-2-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

Formula:C25H13N2O3F3 Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-2-cyano-N-(9,10-dioxoanthracen-2-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-2-cyano-N-(9,10-dioxoanthracen-2-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
MolecularFormula	C25H13N2O3F3
Smiles	N#C/C(/C(Nc(cc1)cc(C(c2c3cccc2)=O)c1C3=O)=O)=C\c1cccc(C(F)(F)F)c1
InChI	InChI=1S/C25H13F3N2O3/c26-25(27,28)16-5-3-4-14(11-16)10-15(13-29)24(33)30-17-8-9-20-21(12-17)23(32)19-7-2-1-6-18(19)22(20)31/h1-12H,(H,30,33)
InChIK	NAONFPXADKHIKJ-UHFFFAOYSA-N
TotalMolweight	446.383
Molweight	446.383
MonoisotopicMass	446.087827
CLogP	5.2104
CLogS	-7.662
H Acceptors	5
H Donors	1
TotalSurfaceArea	319.87
Relative PSA	0.20052
PolarSurfaceArea	87.03
Druglikeness	-8.7975
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	twice activated DB
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	1
Symmetricatoms	2
Amides	1
StereoCon

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