4-amino-2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-oxobutanoic acid

Formula:C14H10N2O4Cl2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-amino-2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-oxobutanoic acid is a drug-like molecule.

MolName	4-amino-2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-oxobutanoic acid
MolecularFormula	C14H10N2O4Cl2S2
Smiles	NC(CC(C(O)=O)N(C(/C(/S1)=C/c(ccc(Cl)c2)c2Cl)=O)C1=S)=O
InChI	InChI=1S/C14H10Cl2N2O4S2/c15-7-2-1-6(8(16)4-7)3-10-12(20)18(14(23)24-10)9(13(21)22)5-11(17)19/h1-4,9H,5H2,(H2,17,19)(H,21,22)/t9-/m0/s1
InChIK	LPUOPFKTYFMCIZ-VIFPVBQESA-N
TotalMolweight	405.281
Molweight	405.281
MonoisotopicMass	403.945902
CLogP	0.8787
CLogS	-4.584
H Acceptors	6
H Donors	2
TotalSurfaceArea	270.19
Relative PSA	0.43129
PolarSurfaceArea	158.09
Druglikeness	0.54146
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	5
Amides	2
AcidicOxygens	1
StereoCon	racemate

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1 - 4-amino-2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-oxobutanoic acid | 2 - 4-amino-2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-oxobutanoic acid

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