2-[2-[(Z)-[3-[[2-(4-nitrophenoxy)acetyl]amino]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid

Formula:C20H15N3O8S2 Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[2-[(Z)-[3-[[2-(4-nitrophenoxy)acetyl]amino]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid is not a drug-like molecule.

MolName	2-[2-[(Z)-[3-[[2-(4-nitrophenoxy)acetyl]amino]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
MolecularFormula	C20H15N3O8S2
Smiles	[O-][N+](c(cc1)ccc1OCC(NN(C(/C(/S1)=C/c(cccc2)c2OCC(O)=O)=O)C1=S)=O)=O
InChI	InChI=1S/C20H15N3O8S2/c24-17(10-30-14-7-5-13(6-8-14)23(28)29)21-22-19(27)16(33-20(22)32)9-12-3-1-2-4-15(12)31-11-18(25)26/h1-9H,10-11H2,(H,21,24)(H,25,26)
InChIK	KWAKCGHPHOIHRD-UHFFFAOYSA-N
TotalMolweight	489.484
Molweight	489.484
MonoisotopicMass	489.030057
CLogP	-0.8155
CLogS	-4.717
H Acceptors	11
H Donors	2
TotalSurfaceArea	346.98
Relative PSA	0.47017
PolarSurfaceArea	208.38
Druglikeness	-0.90848
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.60606
Fragments	1
Non HAtoms	33
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	2
AcidicOxygens	2
StereoCon

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1 - 2-[2-[(Z)-[3-[[2-(4-nitrophenoxy)acetyl]amino]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid | 2 - 2-[2-[(Z)-[3-[[2-(4-nitrophenoxy)acetyl]amino]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid

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