(NE)-2,5-dichloro-N-(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide

Formula:C12H6NO3Cl3S Mutagenic:none Tumorigenic:high Reproductive Effective:high (NE)-2,5-dichloro-N-(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide is a drug-like molecule.

MolName	(NE)-2,5-dichloro-N-(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
MolecularFormula	C12H6NO3Cl3S
Smiles	O=C(C=C1)C(Cl)=C/C1=N/S(c(cc(cc1)Cl)c1Cl)(=O)=O
InChI	InChI=1S/C12H6Cl3NO3S/c13-7-1-3-9(14)12(5-7)20(18,19)16-8-2-4-11(17)10(15)6-8/h1-6H
InChIK	CTDYOXIORUOFAR-UHFFFAOYSA-N
TotalMolweight	350.609
Molweight	350.609
MonoisotopicMass	348.913395
CLogP	2.9183
CLogS	-4.253
H Acceptors	4
TotalSurfaceArea	226.53
Relative PSA	0.23454
PolarSurfaceArea	71.95
Druglikeness	1.2681
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	2-halo-enone
Shape Index	0.55
Fragments	1
Non HAtoms	20
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	1
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	1
Symmetricatoms	1
BasicNitrogens	1
StereoCon

Click to Load Molecule:

1 - (NE)-2,5-dichloro-N-(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide | 2 - (NE)-2,5-dichloro-N-(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide

Request More Details | (NE)-2,5-dichloro-N-(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments