3-chloro-4-[(1E,3E)-4-(2-chloro-4-nitrophenyl)buta-1,3-dienyl]benzenesulfonyl fluoride

Formula:C16H10NO4Cl2FS Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-chloro-4-[(1E,3E)-4-(2-chloro-4-nitrophenyl)buta-1,3-dienyl]benzenesulfonyl fluoride is a drug-like molecule.

MolName	3-chloro-4-[(1E,3E)-4-(2-chloro-4-nitrophenyl)buta-1,3-dienyl]benzenesulfonyl fluoride
MolecularFormula	C16H10NO4Cl2FS
Smiles	[O-][N+](c1cc(Cl)c(/C=C/C=C/c(ccc(S(F)(=O)=O)c2)c2Cl)cc1)=O
InChI	InChI=1S/C16H10Cl2FNO4S/c17-15-9-13(20(21)22)7-5-11(15)3-1-2-4-12-6-8-14(10-16(12)18)25(19,23)24/h1-10H
InChIK	IXYAYEKAUAGUBI-UHFFFAOYSA-N
TotalMolweight	402.228
Molweight	402.228
MonoisotopicMass	400.969161
CLogP	4.8913
CLogS	-4.411
H Acceptors	5
TotalSurfaceArea	275.46
Relative PSA	0.21419
PolarSurfaceArea	88.34
Druglikeness	-11.699
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	acyl-halogenide type; aromatic nitro
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 3-chloro-4-[(1E,3E)-4-(2-chloro-4-nitrophenyl)buta-1,3-dienyl]benzenesulfonyl fluoride | 2 - 3-chloro-4-[(1E,3E)-4-(2-chloro-4-nitrophenyl)buta-1,3-dienyl]benzenesulfonyl fluoride

Request More Details | 3-chloro-4-[(1E,3E)-4-(2-chloro-4-nitrophenyl)buta-1,3-dienyl]benzenesulfonyl fluoride

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments