[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate

Formula:C14H9N2O4BrS Mutagenic:high Tumorigenic:high Reproductive Effective:none [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate
MolecularFormula	C14H9N2O4BrS
Smiles	N#Cc1c(NC(COC(/C=C/c(o2)ccc2Br)=O)=O)scc1
InChI	InChI=1S/C14H9BrN2O4S/c15-11-3-1-10(21-11)2-4-13(19)20-8-12(18)17-14-9(7-16)5-6-22-14/h1-6H,8H2,(H,17,18)
InChIK	GLXPMLFLTZTAGQ-UHFFFAOYSA-N
TotalMolweight	381.205
Molweight	381.205
MonoisotopicMass	379.946639
CLogP	2.5151
CLogS	-4.503
H Acceptors	6
H Donors	1
TotalSurfaceArea	256.21
Relative PSA	0.37301
PolarSurfaceArea	120.57
Druglikeness	-5.6496
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.68182
Fragments	1
Non HAtoms	22
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	2
Amides	1
StereoCon

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