[2-(5-bromothiophen-2-yl)-2-oxoethyl] (E)-3-(3-nitrophenyl)prop-2-enoate

Formula:C15H10NO5BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(5-bromothiophen-2-yl)-2-oxoethyl] (E)-3-(3-nitrophenyl)prop-2-enoate is a drug-like molecule.

MolName	[2-(5-bromothiophen-2-yl)-2-oxoethyl] (E)-3-(3-nitrophenyl)prop-2-enoate
MolecularFormula	C15H10NO5BrS
Smiles	[O-][N+](c1cccc(/C=C/C(OCC(c(s2)ccc2Br)=O)=O)c1)=O
InChI	InChI=1S/C15H10BrNO5S/c16-14-6-5-13(23-14)12(18)9-22-15(19)7-4-10-2-1-3-11(8-10)17(20)21/h1-8H,9H2
InChIK	CAFUKMIJDQRERI-UHFFFAOYSA-N
TotalMolweight	396.216
Molweight	396.216
MonoisotopicMass	394.946305
CLogP	2.7366
CLogS	-5.064
H Acceptors	6
TotalSurfaceArea	257.02
Relative PSA	0.33795
PolarSurfaceArea	117.43
Druglikeness	-7.1456
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
AcidicOxygens	1
StereoCon

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