(E)-1,3-bis(5-nitrothiophen-3-yl)prop-2-en-1-one

Formula:C11H6N2O5S2 Mutagenic:low Tumorigenic:none Reproductive Effective:none (E)-1,3-bis(5-nitrothiophen-3-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1,3-bis(5-nitrothiophen-3-yl)prop-2-en-1-one
MolecularFormula	C11H6N2O5S2
Smiles	[O-][N+](c1cc(/C=C/C(c2csc([N+]([O-])=O)c2)=O)cs1)=O
InChI	InChI=1S/C11H6N2O5S2/c14-9(8-4-11(13(17)18)20-6-8)2-1-7-3-10(12(15)16)19-5-7/h1-6H
InChIK	FVEMEWLHXCDRNY-UHFFFAOYSA-N
TotalMolweight	310.31
Molweight	310.31
MonoisotopicMass	309.971813
CLogP	1.4086
CLogS	-4.86
H Acceptors	7
TotalSurfaceArea	216.49
Relative PSA	0.52935
PolarSurfaceArea	165.19
Druglikeness	-3.6595
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.65
Fragments	1
Non HAtoms	20
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	2
AcidicOxygens	2
StereoCon

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