(E)-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[2-(difluoromethoxy)-5-nitrophenyl]prop-2-enamide

Formula:C20H18N3O7ClF2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[2-(difluoromethoxy)-5-nitrophenyl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-3-[2-(difluoromethoxy)-5-nitrophenyl]prop-2-enamide
MolecularFormula	C20H18N3O7ClF2S
Smiles	[O-][N+](c(cc1)cc(/C=C/C(Nc(cc(cc2)S(N3CCOCC3)(=O)=O)c2Cl)=O)c1OC(F)F)=O
InChI	InChI=1S/C20H18ClF2N3O7S/c21-16-4-3-15(34(30,31)25-7-9-32-10-8-25)12-17(16)24-19(27)6-1-13-11-14(26(28)29)2-5-18(13)33-20(22)23/h1-6,11-12,20H,7-10H2,(H,24,27)
InChIK	JNAIAGFVHDPYKT-UHFFFAOYSA-N
TotalMolweight	517.892
Molweight	517.892
MonoisotopicMass	517.052205
CLogP	2.0329
CLogS	-4.522
H Acceptors	10
H Donors	1
TotalSurfaceArea	353.44
Relative PSA	0.30288
PolarSurfaceArea	139.14
Druglikeness	-7.2975
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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