2-[(Z)-[2-(4-nitrophenyl)imino-4-oxo-1,3-thiazolidin-3-yl]iminomethyl]benzoic acid

Formula:C17H12N4O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(Z)-[2-(4-nitrophenyl)imino-4-oxo-1,3-thiazolidin-3-yl]iminomethyl]benzoic acid is a drug-like molecule.

MolName	2-[(Z)-[2-(4-nitrophenyl)imino-4-oxo-1,3-thiazolidin-3-yl]iminomethyl]benzoic acid
MolecularFormula	C17H12N4O5S
Smiles	[O-][N+](c(cc1)ccc1/N=C(/N1/N=C\c(cccc2)c2C(O)=O)\SCC1=O)=O
InChI	InChI=1S/C17H12N4O5S/c22-15-10-27-17(19-12-5-7-13(8-6-12)21(25)26)20(15)18-9-11-3-1-2-4-14(11)16(23)24/h1-9H,10H2,(H,23,24)
InChIK	SOZDRBYDYFPYSW-UHFFFAOYSA-N
TotalMolweight	384.371
Molweight	384.371
MonoisotopicMass	384.052841
CLogP	1.291
CLogS	-4.605
H Acceptors	9
H Donors	1
TotalSurfaceArea	274.32
Relative PSA	0.41433
PolarSurfaceArea	153.45
Druglikeness	-1.0468
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
AcidicOxygens	2
StereoCon

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1 - 2-[(Z)-[2-(4-nitrophenyl)imino-4-oxo-1,3-thiazolidin-3-yl]iminomethyl]benzoic acid | 2 - 2-[(Z)-[2-(4-nitrophenyl)imino-4-oxo-1,3-thiazolidin-3-yl]iminomethyl]benzoic acid

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