[4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenyl] 4-chlorobenzenesulfonate

Formula:C16H11N2O5ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenyl] 4-chlorobenzenesulfonate is a drug-like molecule.

MolName	[4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenyl] 4-chlorobenzenesulfonate
MolecularFormula	C16H11N2O5ClS
Smiles	O=C(/C(/N1)=C/c(cc2)ccc2OS(c(cc2)ccc2Cl)(=O)=O)NC1=O
InChI	InChI=1S/C16H11ClN2O5S/c17-11-3-7-13(8-4-11)25(22,23)24-12-5-1-10(2-6-12)9-14-15(20)19-16(21)18-14/h1-9H,(H2,18,19,20,21)
InChIK	QRYQVYQRGSPDTI-UHFFFAOYSA-N
TotalMolweight	378.791
Molweight	378.791
MonoisotopicMass	378.00772
CLogP	2.3532
CLogS	-4.246
H Acceptors	7
H Donors	2
TotalSurfaceArea	256.65
Relative PSA	0.34124
PolarSurfaceArea	109.95
Druglikeness	3.7696
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! 5-methylene-imidazolidine-2,4-dione
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	5
Amides	2
StereoCon

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