2-[(5E)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

Formula:C19H14NO4ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(5E)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid is a drug-like molecule.

MolName	2-[(5E)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
MolecularFormula	C19H14NO4ClS2
Smiles	OC(CN(C(/C(/S1)=C\c(cccc2)c2OCc(cccc2)c2Cl)=O)C1=S)=O
InChI	InChI=1S/C19H14ClNO4S2/c20-14-7-3-1-6-13(14)11-25-15-8-4-2-5-12(15)9-16-18(24)21(10-17(22)23)19(26)27-16/h1-9H,10-11H2,(H,22,23)
InChIK	IFQOHFAWUXWIKP-UHFFFAOYSA-N
TotalMolweight	419.908
Molweight	419.908
MonoisotopicMass	419.005276
CLogP	2.4812
CLogS	-4.99
H Acceptors	5
H Donors	1
TotalSurfaceArea	299.52
Relative PSA	0.32792
PolarSurfaceArea	124.23
Druglikeness	-1.7926
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Amides	1
AcidicOxygens	1
StereoCon

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