(E)-N-[(4-bromo-3-chlorophenyl)carbamothioyl]-3-(furan-2-yl)prop-2-enamide

Formula:C14H10N2O2BrClS Mutagenic:high Tumorigenic:none Reproductive Effective:high (E)-N-[(4-bromo-3-chlorophenyl)carbamothioyl]-3-(furan-2-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[(4-bromo-3-chlorophenyl)carbamothioyl]-3-(furan-2-yl)prop-2-enamide
MolecularFormula	C14H10N2O2BrClS
Smiles	O=C(/C=C/c1ccco1)NC(Nc(cc1)cc(Cl)c1Br)=S
InChI	InChI=1S/C14H10BrClN2O2S/c15-11-5-3-9(8-12(11)16)17-14(21)18-13(19)6-4-10-2-1-7-20-10/h1-8H,(H2,17,18,19,21)
InChIK	AJNQYVKLRBLKNO-UHFFFAOYSA-N
TotalMolweight	385.668
Molweight	385.668
MonoisotopicMass	383.933486
CLogP	3.8386
CLogS	-5.295
H Acceptors	4
H Donors	2
TotalSurfaceArea	256.64
Relative PSA	0.3042
PolarSurfaceArea	86.36
Druglikeness	-1.9594
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions	thio-amide/urea
Shape Index	0.66667
Fragments	1
Non HAtoms	21
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Amides	1
StereoCon

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