4-[[4-chloro-2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid

Formula:C18H12NO4ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[4-chloro-2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid is a drug-like molecule.

MolName	4-[[4-chloro-2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]benzoic acid
MolecularFormula	C18H12NO4ClS2
Smiles	OC(c1ccc(COc(cc2)c(/C=C(/C(N3)=O)\SC3=S)cc2Cl)cc1)=O
InChI	InChI=1S/C18H12ClNO4S2/c19-13-5-6-14(12(7-13)8-15-16(21)20-18(25)26-15)24-9-10-1-3-11(4-2-10)17(22)23/h1-8H,9H2,(H,22,23)(H,20,21,25)
InChIK	MIJHNWNXFONIQJ-UHFFFAOYSA-N
TotalMolweight	405.881
Molweight	405.881
MonoisotopicMass	404.989626
CLogP	2.5834
CLogS	-5.59
H Acceptors	5
H Donors	2
TotalSurfaceArea	286.92
Relative PSA	0.36989
PolarSurfaceArea	133.02
Druglikeness	2.2618
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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