4-[(Z)-[3-(1,3-benzodioxol-5-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid

Formula:C18H11NO5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(Z)-[3-(1,3-benzodioxol-5-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid is a drug-like molecule.

MolName	4-[(Z)-[3-(1,3-benzodioxol-5-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
MolecularFormula	C18H11NO5S2
Smiles	OC(c1ccc(/C=C(/C(N2c(cc3)cc4c3OCO4)=O)\SC2=S)cc1)=O
InChI	InChI=1S/C18H11NO5S2/c20-16-15(7-10-1-3-11(4-2-10)17(21)22)26-18(25)19(16)12-5-6-13-14(8-12)24-9-23-13/h1-8H,9H2,(H,21,22)
InChIK	ZRTQMAYZOOIYEU-UHFFFAOYSA-N
TotalMolweight	385.419
Molweight	385.419
MonoisotopicMass	385.007864
CLogP	2.4888
CLogS	-5.707
H Acceptors	6
H Donors	1
TotalSurfaceArea	266.84
Relative PSA	0.40556
PolarSurfaceArea	133.46
Druglikeness	2.7182
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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1 - 4-[(Z)-[3-(1,3-benzodioxol-5-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid | 2 - 4-[(Z)-[3-(1,3-benzodioxol-5-yl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoic acid

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