(E)-4-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]anilino]-4-oxobut-2-enoic acid

Formula:C16H12N2O5Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]anilino]-4-oxobut-2-enoic acid is a drug-like molecule.

MolName	(E)-4-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]anilino]-4-oxobut-2-enoic acid
MolecularFormula	C16H12N2O5Cl2S
Smiles	OC(/C=C/C(Nc(cc1)cc(S(Nc(cc2)ccc2Cl)(=O)=O)c1Cl)=O)=O
InChI	InChI=1S/C16H12Cl2N2O5S/c17-10-1-3-11(4-2-10)20-26(24,25)14-9-12(5-6-13(14)18)19-15(21)7-8-16(22)23/h1-9,20H,(H,19,21)(H,22,23)
InChIK	XTXJXMUVHNCDKH-UHFFFAOYSA-N
TotalMolweight	415.252
Molweight	415.252
MonoisotopicMass	413.984397
CLogP	2.2547
CLogS	-4.55
H Acceptors	7
H Donors	3
TotalSurfaceArea	283.71
Relative PSA	0.31962
PolarSurfaceArea	120.95
Druglikeness	2.411
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	3
Amides	2
AcidicOxygens	1
StereoCon

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