(E)-3-(4-chlorophenyl)-N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]prop-2-enamide

Formula:C24H15N2O3ClS Mutagenic:high Tumorigenic:none Reproductive Effective:high (E)-3-(4-chlorophenyl)-N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-(4-chlorophenyl)-N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]prop-2-enamide
MolecularFormula	C24H15N2O3ClS
Smiles	O=C(/C=C/c(cc1)ccc1Cl)NC(Nc(cc1)cc(C(c2c3cccc2)=O)c1C3=O)=S
InChI	InChI=1S/C24H15ClN2O3S/c25-15-8-5-14(6-9-15)7-12-21(28)27-24(31)26-16-10-11-19-20(13-16)23(30)18-4-2-1-3-17(18)22(19)29/h1-13H,(H2,26,27,28,31)
InChIK	RVBVZOSBNMCSBC-UHFFFAOYSA-N
TotalMolweight	446.913
Molweight	446.913
MonoisotopicMass	446.04919
CLogP	5.2985
CLogS	-7.893
H Acceptors	5
H Donors	2
TotalSurfaceArea	330.08
Relative PSA	0.27278
PolarSurfaceArea	107.36
Druglikeness	-0.064946
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions	thio-amide/urea
Shape Index	0.6129
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
Sp3Atoms	1
Symmetricatoms	2
Amides	1
StereoCon

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