2-chloro-4-[(E)-2-(2-chloro-4-nitrophenyl)ethenyl]benzenesulfonyl fluoride

Formula:C14H8NO4Cl2FS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-chloro-4-[(E)-2-(2-chloro-4-nitrophenyl)ethenyl]benzenesulfonyl fluoride is a drug-like molecule.

MolName	2-chloro-4-[(E)-2-(2-chloro-4-nitrophenyl)ethenyl]benzenesulfonyl fluoride
MolecularFormula	C14H8NO4Cl2FS
Smiles	[O-][N+](c1cc(Cl)c(/C=C/c(cc2)cc(Cl)c2S(F)(=O)=O)cc1)=O
InChI	InChI=1S/C14H8Cl2FNO4S/c15-12-8-11(18(19)20)5-4-10(12)3-1-9-2-6-14(13(16)7-9)23(17,21)22/h1-8H
InChIK	WTISAWHUCVRRRK-UHFFFAOYSA-N
TotalMolweight	376.191
Molweight	376.191
MonoisotopicMass	374.953511
CLogP	4.2347
CLogS	-4.099
H Acceptors	5
TotalSurfaceArea	248.96
Relative PSA	0.23699
PolarSurfaceArea	88.34
Druglikeness	-11.798
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	acyl-halogenide type; aromatic nitro
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 2-chloro-4-[(E)-2-(2-chloro-4-nitrophenyl)ethenyl]benzenesulfonyl fluoride | 2 - 2-chloro-4-[(E)-2-(2-chloro-4-nitrophenyl)ethenyl]benzenesulfonyl fluoride

Request More Details | 2-chloro-4-[(E)-2-(2-chloro-4-nitrophenyl)ethenyl]benzenesulfonyl fluoride

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments