[4-[(E)-3-(3-chlorophenyl)prop-2-enoyl]phenyl] 2,5-dichlorobenzenesulfonate

Formula:C21H13O4Cl3S Mutagenic:none Tumorigenic:high Reproductive Effective:high [4-[(E)-3-(3-chlorophenyl)prop-2-enoyl]phenyl] 2,5-dichlorobenzenesulfonate is not a drug-like molecule.

MolName	[4-[(E)-3-(3-chlorophenyl)prop-2-enoyl]phenyl] 2,5-dichlorobenzenesulfonate
MolecularFormula	C21H13O4Cl3S
Smiles	O=C(/C=C/c1cc(Cl)ccc1)c(cc1)ccc1OS(c(cc(cc1)Cl)c1Cl)(=O)=O
InChI	InChI=1S/C21H13Cl3O4S/c22-16-3-1-2-14(12-16)4-11-20(25)15-5-8-18(9-6-15)28-29(26,27)21-13-17(23)7-10-19(21)24/h1-13H
InChIK	BCTWVXAQYPNXSB-UHFFFAOYSA-N
TotalMolweight	467.755
Molweight	467.755
MonoisotopicMass	465.960011
CLogP	6.0007
CLogS	-6.822
H Acceptors	4
TotalSurfaceArea	321.87
Relative PSA	0.16038
PolarSurfaceArea	68.82
Druglikeness	1.352
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	3
StereoCon

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