(E)-3-(2,4-dichlorophenyl)-N-(naphthalen-1-ylcarbamothioyl)prop-2-enamide

Formula:C20H14N2OCl2S Mutagenic:high Tumorigenic:high Reproductive Effective:high (E)-3-(2,4-dichlorophenyl)-N-(naphthalen-1-ylcarbamothioyl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-(2,4-dichlorophenyl)-N-(naphthalen-1-ylcarbamothioyl)prop-2-enamide
MolecularFormula	C20H14N2OCl2S
Smiles	O=C(/C=C/c(ccc(Cl)c1)c1Cl)NC(Nc1cccc2ccccc12)=S
InChI	InChI=1S/C20H14Cl2N2OS/c21-15-10-8-14(17(22)12-15)9-11-19(25)24-20(26)23-18-7-3-5-13-4-1-2-6-16(13)18/h1-12H,(H2,23,24,25,26)
InChIK	IYEKWOOZBHLSJW-UHFFFAOYSA-N
TotalMolweight	401.316
Molweight	401.316
MonoisotopicMass	400.020387
CLogP	5.7251
CLogS	-7.121
H Acceptors	3
H Donors	2
TotalSurfaceArea	298.34
Relative PSA	0.21439
PolarSurfaceArea	73.22
Druglikeness	-0.4708
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	1
Amides	1
StereoCon

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