2-[(5E)-5-[[3-[(4-nitrophenyl)methoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

Formula:C19H14N2O6S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(5E)-5-[[3-[(4-nitrophenyl)methoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid is a drug-like molecule.

MolName	2-[(5E)-5-[[3-[(4-nitrophenyl)methoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
MolecularFormula	C19H14N2O6S2
Smiles	[O-][N+](c1ccc(COc2cccc(/C=C(\C(N3CC(O)=O)=O)/SC3=S)c2)cc1)=O
InChI	InChI=1S/C19H14N2O6S2/c22-17(23)10-20-18(24)16(29-19(20)28)9-13-2-1-3-15(8-13)27-11-12-4-6-14(7-5-12)21(25)26/h1-9H,10-11H2,(H,22,23)
InChIK	IQLIRRVHHRPCLJ-UHFFFAOYSA-N
TotalMolweight	430.46
Molweight	430.46
MonoisotopicMass	430.029328
CLogP	0.9536
CLogS	-4.714
H Acceptors	8
H Donors	1
TotalSurfaceArea	307.77
Relative PSA	0.41797
PolarSurfaceArea	170.05
Druglikeness	-6.8417
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	2
Amides	1
AcidicOxygens	2
StereoCon

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