(E)-2-cyano-3-(2,4-dichlorophenyl)-N-(9,10-dioxoanthracen-2-yl)prop-2-enamide

Formula:C24H12N2O3Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-cyano-3-(2,4-dichlorophenyl)-N-(9,10-dioxoanthracen-2-yl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-2-cyano-3-(2,4-dichlorophenyl)-N-(9,10-dioxoanthracen-2-yl)prop-2-enamide
MolecularFormula	C24H12N2O3Cl2
Smiles	N#C/C(/C(Nc(cc1)cc(C(c2c3cccc2)=O)c1C3=O)=O)=C\c(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C24H12Cl2N2O3/c25-15-6-5-13(21(26)10-15)9-14(12-27)24(31)28-16-7-8-19-20(11-16)23(30)18-4-2-1-3-17(18)22(19)29/h1-11H,(H,28,31)
InChIK	GGVCFWHINATBBN-UHFFFAOYSA-N
TotalMolweight	447.276
Molweight	447.276
MonoisotopicMass	446.022497
CLogP	5.5741
CLogS	-8.356
H Acceptors	5
H Donors	1
TotalSurfaceArea	321.25
Relative PSA	0.19966
PolarSurfaceArea	87.03
Druglikeness	-1.5504
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	twice activated DB
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Amides	1
StereoCon

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