4-[(Z)-[3-[(4-nitrobenzoyl)amino]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid

Formula:C18H11N3O7S Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(Z)-[3-[(4-nitrobenzoyl)amino]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid is a drug-like molecule.

MolName	4-[(Z)-[3-[(4-nitrobenzoyl)amino]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
MolecularFormula	C18H11N3O7S
Smiles	[O-][N+](c(cc1)ccc1C(NN(C(/C(/S1)=C/c(cc2)ccc2C(O)=O)=O)C1=O)=O)=O
InChI	InChI=1S/C18H11N3O7S/c22-15(11-5-7-13(8-6-11)21(27)28)19-20-16(23)14(29-18(20)26)9-10-1-3-12(4-2-10)17(24)25/h1-9H,(H,19,22)(H,24,25)
InChIK	NAHAVPSFZDFTGH-UHFFFAOYSA-N
TotalMolweight	413.365
Molweight	413.365
MonoisotopicMass	413.031772
CLogP	0.3799
CLogS	-4.806
H Acceptors	10
H Donors	2
TotalSurfaceArea	284.5
Relative PSA	0.45054
PolarSurfaceArea	174.9
Druglikeness	-0.90068
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; limit! methylene-thiazolidine-2,4-dione
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	4
AcidicOxygens	2
StereoCon

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