(E)-2-(1,3-dithiolan-2-ylidene)-5-(furan-2-yl)-3-oxopent-4-enoate

Formula:C12H9O4S2 Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-2-(1,3-dithiolan-2-ylidene)-5-(furan-2-yl)-3-oxopent-4-enoate is a drug-like molecule.

MolName	(E)-2-(1,3-dithiolan-2-ylidene)-5-(furan-2-yl)-3-oxopent-4-enoate
MolecularFormula	C12H9O4S2
Smiles	[O-]C(C(C(/C=C/c1ccco1)=O)=C1SCCS1)=O
InChI	InChI=1S/C12H10O4S2/c13-9(4-3-8-2-1-5-16-8)10(11(14)15)12-17-6-7-18-12/h1-5H,6-7H2,(H,14,15)/p-1
InChIK	HKHAYBJVVCMCFI-UHFFFAOYSA-M
TotalMolweight	281.331
Molweight	281.331
MonoisotopicMass	280.994225
CLogP	0.1892
CLogS	-2.934
H Acceptors	4
TotalSurfaceArea	204.4
Relative PSA	0.43762
PolarSurfaceArea	120.94
Druglikeness	-2.1383
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB; twice activated DB
Shape Index	0.55556
Fragments	1
Non HAtoms	18
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	5
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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