2-[(1Z,3Z)-2,3-dinitro-4-thiophen-2-ylbuta-1,3-dienyl]thiophene

Formula:C12H8N2O4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(1Z,3Z)-2,3-dinitro-4-thiophen-2-ylbuta-1,3-dienyl]thiophene is a drug-like molecule.

MolName	2-[(1Z,3Z)-2,3-dinitro-4-thiophen-2-ylbuta-1,3-dienyl]thiophene
MolecularFormula	C12H8N2O4S2
Smiles	[O-][N+](/C(/C(/[N+]([O-])=O)=C/c1cccs1)=C\c1cccs1)=O
InChI	InChI=1S/C12H8N2O4S2/c15-13(16)11(7-9-3-1-5-19-9)12(14(17)18)8-10-4-2-6-20-10/h1-8H
InChIK	HXXRASKNKHZSAG-UHFFFAOYSA-N
TotalMolweight	308.338
Molweight	308.338
MonoisotopicMass	307.992548
CLogP	2.7128
CLogS	-4.8
H Acceptors	6
TotalSurfaceArea	221.66
Relative PSA	0.45818
PolarSurfaceArea	148.12
Druglikeness	-3.8831
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	20
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	2
Symmetricatoms	10
AcidicOxygens	2
StereoCon

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