[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate

Formula:C19H19N2O6BrS Mutagenic:high Tumorigenic:high Reproductive Effective:none [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate
MolecularFormula	C19H19N2O6BrS
Smiles	O=C(COC(/C=C/c(o1)ccc1Br)=O)N(CC1)CCN1S(c1ccccc1)(=O)=O
InChI	InChI=1S/C19H19BrN2O6S/c20-17-8-6-15(28-17)7-9-19(24)27-14-18(23)21-10-12-22(13-11-21)29(25,26)16-4-2-1-3-5-16/h1-9H,10-14H2
InChIK	VRHSJMPCYLKJGZ-UHFFFAOYSA-N
TotalMolweight	483.338
Molweight	483.338
MonoisotopicMass	482.014719
CLogP	2.2107
CLogS	-2.328
H Acceptors	8
TotalSurfaceArea	317.82
Relative PSA	0.27018
PolarSurfaceArea	105.51
Druglikeness	-4.6957
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65517
Fragments	1
Non HAtoms	29
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	7
Symmetricatoms	5
Amides	2
StereoCon

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