(E)-N-[(4-bromo-3-chlorophenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide

Formula:C14H10N2OBrClS2 Mutagenic:high Tumorigenic:none Reproductive Effective:high (E)-N-[(4-bromo-3-chlorophenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.

MolName	(E)-N-[(4-bromo-3-chlorophenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide
MolecularFormula	C14H10N2OBrClS2
Smiles	O=C(/C=C/c1cccs1)NC(Nc(cc1)cc(Cl)c1Br)=S
InChI	InChI=1S/C14H10BrClN2OS2/c15-11-5-3-9(8-12(11)16)17-14(20)18-13(19)6-4-10-2-1-7-21-10/h1-8H,(H2,17,18,19,20)
InChIK	YXEMOBNVKKZGBN-UHFFFAOYSA-N
TotalMolweight	401.735
Molweight	401.735
MonoisotopicMass	399.910641
CLogP	4.5165
CLogS	-5.623
H Acceptors	3
H Donors	2
TotalSurfaceArea	262.89
Relative PSA	0.32074
PolarSurfaceArea	101.46
Druglikeness	-0.20546
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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