N'-(4-bromophenyl)sulfonyl-N-(2,3,5,6-tetrachloro-4-oxocyclohexa-2,5-dien-1-ylidene)benzenecarboximidamide

Formula:C19H9N2O3BrCl4S Mutagenic:low Tumorigenic:low Reproductive Effective:none N'-(4-bromophenyl)sulfonyl-N-(2,3,5,6-tetrachloro-4-oxocyclohexa-2,5-dien-1-ylidene)benzenecarboximidamide is not a drug-like molecule.

MolName	N'-(4-bromophenyl)sulfonyl-N-(2,3,5,6-tetrachloro-4-oxocyclohexa-2,5-dien-1-ylidene)benzenecarboximidamide
MolecularFormula	C19H9N2O3BrCl4S
Smiles	O=C(C(Cl)=C(C1=N/C(/c2ccccc2)=N\S(c(cc2)ccc2Br)(=O)=O)Cl)C(Cl)=C1Cl
InChI	InChI=1S/C19H9BrCl4N2O3S/c20-11-6-8-12(9-7-11)30(28,29)26-19(10-4-2-1-3-5-10)25-17-13(21)15(23)18(27)16(24)14(17)22/h1-9H
InChIK	KEKBTWXEGJFOPQ-UHFFFAOYSA-N
TotalMolweight	567.073
Molweight	567.073
MonoisotopicMass	563.827132
CLogP	5.3163
CLogS	-7.196
H Acceptors	5
TotalSurfaceArea	337.94
Relative PSA	0.19128
PolarSurfaceArea	84.31
Druglikeness	-0.33377
Mutagenic	low
Tumorigenic	low
Reproductive Effective	none
Irritant	low
Nasty Functions	1,2-dihalo-alkene; 2-halo-enone; 3-halo-enone
Shape Index	0.46667
Fragments	1
Non HAtoms	30
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	9
BasicNitrogens	2
StereoCon

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