3-[2-[(Z)-[3-[2-(4-bromoanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid

Formula:C23H16N3O5BrS Mutagenic:none Tumorigenic:high Reproductive Effective:none 3-[2-[(Z)-[3-[2-(4-bromoanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid is not a drug-like molecule.

MolName	3-[2-[(Z)-[3-[2-(4-bromoanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid
MolecularFormula	C23H16N3O5BrS
Smiles	OC(c1cccc(-n2c(/C=C(/C(N3CC(Nc(cc4)ccc4Br)=O)=O)\SC3=O)ccc2)c1)=O
InChI	InChI=1S/C23H16BrN3O5S/c24-15-6-8-16(9-7-15)25-20(28)13-27-21(29)19(33-23(27)32)12-18-5-2-10-26(18)17-4-1-3-14(11-17)22(30)31/h1-12H,13H2,(H,25,28)(H,30,31)
InChIK	CPIDKGYOLYAKPY-UHFFFAOYSA-N
TotalMolweight	526.366
Molweight	526.366
MonoisotopicMass	524.999403
CLogP	2.9839
CLogS	-7.245
H Acceptors	8
H Donors	2
TotalSurfaceArea	342.18
Relative PSA	0.30577
PolarSurfaceArea	134.01
Druglikeness	3.5215
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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1 - 3-[2-[(Z)-[3-[2-(4-bromoanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid | 2 - 3-[2-[(Z)-[3-[2-(4-bromoanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid

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