(2E)-3-(4-chlorophenyl)-2-(1,2,4-triazol-4-ylimino)-1,3-thiazolidin-4-one

Formula:C11H8N5OClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E)-3-(4-chlorophenyl)-2-(1,2,4-triazol-4-ylimino)-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(2E)-3-(4-chlorophenyl)-2-(1,2,4-triazol-4-ylimino)-1,3-thiazolidin-4-one
MolecularFormula	C11H8N5OClS
Smiles	O=C(CS/C1=N/n2cnnc2)N1c(cc1)ccc1Cl
InChI	InChI=1S/C11H8ClN5OS/c12-8-1-3-9(4-2-8)17-10(18)5-19-11(17)15-16-6-13-14-7-16/h1-4,6-7H,5H2
InChIK	RCHXEYSWPLCLGP-UHFFFAOYSA-N
TotalMolweight	293.738
Molweight	293.738
MonoisotopicMass	293.013807
CLogP	1.3655
CLogS	-5.908
H Acceptors	6
TotalSurfaceArea	203.93
Relative PSA	0.36483
PolarSurfaceArea	88.68
Druglikeness	4.2855
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57895
Fragments	1
Non HAtoms	19
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	3
StereoCon

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