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

Formula:C16H13N3O4BrClS Mutagenic:high Tumorigenic:none Reproductive Effective:high (E)-N-[[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]carbamothioyl]-3-(furan-2-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]carbamothioyl]-3-(furan-2-yl)prop-2-enamide
MolecularFormula	C16H13N3O4BrClS
Smiles	O=C(COc(ccc(Br)c1)c1Cl)NNC(NC(/C=C/c1ccco1)=O)=S
InChI	InChI=1S/C16H13BrClN3O4S/c17-10-3-5-13(12(18)8-10)25-9-15(23)20-21-16(26)19-14(22)6-4-11-2-1-7-24-11/h1-8H,9H2,(H,20,23)(H2,19,21,22,26)
InChIK	XPVLAETXIMPIPB-UHFFFAOYSA-N
TotalMolweight	458.719
Molweight	458.719
MonoisotopicMass	456.949865
CLogP	2.224
CLogS	-5.257
H Acceptors	7
H Donors	3
TotalSurfaceArea	309.61
Relative PSA	0.36359
PolarSurfaceArea	124.69
Druglikeness	-0.3904
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.69231
Fragments	1
Non HAtoms	26
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Amides	1
StereoCon

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