(E)-N-(anilinocarbamothioyl)-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enamide

Formula:C20H15N3O2Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:high (E)-N-(anilinocarbamothioyl)-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-N-(anilinocarbamothioyl)-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enamide
MolecularFormula	C20H15N3O2Cl2S
Smiles	O=C(/C=C/c1ccc(-c(ccc(Cl)c2)c2Cl)o1)NC(NNc1ccccc1)=S
InChI	InChI=1S/C20H15Cl2N3O2S/c21-13-6-9-16(17(22)12-13)18-10-7-15(27-18)8-11-19(26)23-20(28)25-24-14-4-2-1-3-5-14/h1-12,24H,(H2,23,25,26,28)
InChIK	AQZPDNNJRKHSJP-UHFFFAOYSA-N
TotalMolweight	432.33
Molweight	432.33
MonoisotopicMass	431.026201
CLogP	5.9194
CLogS	-6.585
H Acceptors	5
H Donors	3
TotalSurfaceArea	324.65
Relative PSA	0.27577
PolarSurfaceArea	98.39
Druglikeness	1.9028
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.67857
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
Amides	1
StereoCon

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