[4-[(Z)-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-ylidene)methyl]phenyl] benzenesulfonate

Formula:C20H18N2O4S2 Mutagenic:none Tumorigenic:high Reproductive Effective:none [4-[(Z)-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-ylidene)methyl]phenyl] benzenesulfonate is a drug-like molecule.

MolName	[4-[(Z)-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-ylidene)methyl]phenyl] benzenesulfonate
MolecularFormula	C20H18N2O4S2
Smiles	O=C1N=C(N2CCCC2)S/C1=C\c(cc1)ccc1OS(c1ccccc1)(=O)=O
InChI	InChI=1S/C20H18N2O4S2/c23-19-18(27-20(21-19)22-12-4-5-13-22)14-15-8-10-16(11-9-15)26-28(24,25)17-6-2-1-3-7-17/h1-3,6-11,14H,4-5,12-13H2
InChIK	DPTSRNZBNGMMQN-UHFFFAOYSA-N
TotalMolweight	414.505
Molweight	414.505
MonoisotopicMass	414.070798
CLogP	3.2859
CLogS	-4.303
H Acceptors	6
TotalSurfaceArea	292.86
Relative PSA	0.28741
PolarSurfaceArea	109.72
Druglikeness	-1.0378
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	7
BasicNitrogens	1
StereoCon

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