(Z)-3-(2-bromo-4-nitroanilino)-1-thiophen-2-ylprop-2-en-1-one

Formula:C13H9N2O3BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-3-(2-bromo-4-nitroanilino)-1-thiophen-2-ylprop-2-en-1-one is a drug-like molecule.

MolName	(Z)-3-(2-bromo-4-nitroanilino)-1-thiophen-2-ylprop-2-en-1-one
MolecularFormula	C13H9N2O3BrS
Smiles	[O-][N+](c(cc1)cc(Br)c1N/C=C\C(c1cccs1)=O)=O
InChI	InChI=1S/C13H9BrN2O3S/c14-10-8-9(16(18)19)3-4-11(10)15-6-5-12(17)13-2-1-7-20-13/h1-8,15H
InChIK	BTGLPJCXIKOUAQ-UHFFFAOYSA-N
TotalMolweight	353.195
Molweight	353.195
MonoisotopicMass	351.951724
CLogP	2.1447
CLogS	-5.09
H Acceptors	5
H Donors	1
TotalSurfaceArea	226.97
Relative PSA	0.33167
PolarSurfaceArea	103.16
Druglikeness	-3.7958
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.65
Fragments	1
Non HAtoms	20
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
AcidicOxygens	1
StereoCon

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