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

Formula:C12H7NO3ClFS Mutagenic:none Tumorigenic:none Reproductive Effective:none (NE)-N-(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)-4-fluorobenzenesulfonamide is a drug-like molecule.

MolName	(NE)-N-(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)-4-fluorobenzenesulfonamide
MolecularFormula	C12H7NO3ClFS
Smiles	O=C(C=C1)C(Cl)=C/C1=N/S(c(cc1)ccc1F)(=O)=O
InChI	InChI=1S/C12H7ClFNO3S/c13-11-7-9(3-6-12(11)16)15-19(17,18)10-4-1-8(14)2-5-10/h1-7H
InChIK	BLCADUADFAIOSR-UHFFFAOYSA-N
TotalMolweight	299.709
Molweight	299.709
MonoisotopicMass	298.981919
CLogP	1.8071
CLogS	-3.095
H Acceptors	4
TotalSurfaceArea	202.04
Relative PSA	0.26297
PolarSurfaceArea	71.95
Druglikeness	-1.01
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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