(E)-1-[3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrophenyl]-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one

Formula:C23H16N2O6ClF3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrophenyl]-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-1-[3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrophenyl]-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one
MolecularFormula	C23H16N2O6ClF3S
Smiles	[O-][N+](c(cc1)c(CS(c(cc2)ccc2Cl)(=O)=O)cc1C(/C=C/Nc(cc1)ccc1OC(F)(F)F)=O)=O
InChI	InChI=1S/C23H16ClF3N2O6S/c24-17-2-8-20(9-3-17)36(33,34)14-16-13-15(1-10-21(16)29(31)32)22(30)11-12-28-18-4-6-19(7-5-18)35-23(25,26)27/h1-13,28H,14H2
InChIK	GOOLPBWHLWGZGV-UHFFFAOYSA-N
TotalMolweight	540.901
Molweight	540.901
MonoisotopicMass	540.036969
CLogP	3.7441
CLogS	-8.003
H Acceptors	8
H Donors	1
TotalSurfaceArea	369.38
Relative PSA	0.25313
PolarSurfaceArea	126.67
Druglikeness	-19.811
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58333
Fragments	1
Non HAtoms	36
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	10
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	7
AcidicOxygens	1
StereoCon

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