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

Formula:C23H13NO3Cl2 Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-3-(2,4-dichlorophenyl)-N-(9,10-dioxoanthracen-2-yl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-(2,4-dichlorophenyl)-N-(9,10-dioxoanthracen-2-yl)prop-2-enamide
MolecularFormula	C23H13NO3Cl2
Smiles	O=C(/C=C/c(ccc(Cl)c1)c1Cl)Nc(cc1)cc(C(c2c3cccc2)=O)c1C3=O
InChI	InChI=1S/C23H13Cl2NO3/c24-14-7-5-13(20(25)11-14)6-10-21(27)26-15-8-9-18-19(12-15)23(29)17-4-2-1-3-16(17)22(18)28/h1-12H,(H,26,27)
InChIK	OFTOFHFKMMIUQE-UHFFFAOYSA-N
TotalMolweight	422.266
Molweight	422.266
MonoisotopicMass	421.027248
CLogP	5.7221
CLogS	-8.084
H Acceptors	4
H Donors	1
TotalSurfaceArea	301.33
Relative PSA	0.16786
PolarSurfaceArea	63.24
Druglikeness	0.042801
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Amides	1
StereoCon

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