(NE)-N-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-4-fluorobenzenesulfonamide

Formula:C12H7NO3BrFS Mutagenic:none Tumorigenic:none Reproductive Effective:none (NE)-N-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-4-fluorobenzenesulfonamide is a drug-like molecule.

MolName	(NE)-N-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-4-fluorobenzenesulfonamide
MolecularFormula	C12H7NO3BrFS
Smiles	O=C(C=C1)C(Br)=C/C1=N/S(c(cc1)ccc1F)(=O)=O
InChI	InChI=1S/C12H7BrFNO3S/c13-11-7-9(3-6-12(11)16)15-19(17,18)10-4-1-8(14)2-5-10/h1-7H
InChIK	LXYJOYNJBSSBSH-UHFFFAOYSA-N
TotalMolweight	344.16
Molweight	344.16
MonoisotopicMass	342.931403
CLogP	1.9381
CLogS	-3.237
H Acceptors	4
TotalSurfaceArea	205.25
Relative PSA	0.25886
PolarSurfaceArea	71.95
Druglikeness	-8.0816
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	2-halo-enone
Shape Index	0.63158
Fragments	1
Non HAtoms	19
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	1
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	1
Symmetricatoms	3
BasicNitrogens	1
StereoCon

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