(2Z)-2-[3-(4-bromophenyl)-5-[(2,5-dichlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide

Formula:C19H12N3O2BrCl2S Mutagenic:none Tumorigenic:high Reproductive Effective:high (2Z)-2-[3-(4-bromophenyl)-5-[(2,5-dichlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide is a drug-like molecule.

MolName	(2Z)-2-[3-(4-bromophenyl)-5-[(2,5-dichlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide
MolecularFormula	C19H12N3O2BrCl2S
Smiles	NC(/C(/C#N)=C(/N1c(cc2)ccc2Br)\SC(Cc(cc(cc2)Cl)c2Cl)C1=O)=O
InChI	InChI=1S/C19H12BrCl2N3O2S/c20-11-1-4-13(5-2-11)25-18(27)16(28-19(25)14(9-23)17(24)26)8-10-7-12(21)3-6-15(10)22/h1-7,16H,8H2,(H2,24,26)/t16-/m1/s1
InChIK	XIAIROJPQBTZAC-MRXNPFEDSA-N
TotalMolweight	497.199
Molweight	497.199
MonoisotopicMass	494.921062
CLogP	4.5921
CLogS	-6.697
H Acceptors	5
H Donors	1
TotalSurfaceArea	311.69
Relative PSA	0.24367
PolarSurfaceArea	112.49
Druglikeness	-0.54767
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	polar activated DB; twice activated DB
Shape Index	0.46429
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
Amides	2
StereoCon	racemate

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1 - (2Z)-2-[3-(4-bromophenyl)-5-[(2,5-dichlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide | 2 - (2Z)-2-[3-(4-bromophenyl)-5-[(2,5-dichlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide

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