[(Z)-[(4-chlorophenyl)sulfonyl-cyanomethylidene]amino] 3,5-bis(trifluoromethyl)benzenesulfonate

Formula:C16H7N2O5ClF6S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [(Z)-[(4-chlorophenyl)sulfonyl-cyanomethylidene]amino] 3,5-bis(trifluoromethyl)benzenesulfonate is not a drug-like molecule.

MolName	[(Z)-[(4-chlorophenyl)sulfonyl-cyanomethylidene]amino] 3,5-bis(trifluoromethyl)benzenesulfonate
MolecularFormula	C16H7N2O5ClF6S2
Smiles	N#C/C(/S(c(cc1)ccc1Cl)(=O)=O)=N/OS(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(=O)=O
InChI	InChI=1S/C16H7ClF6N2O5S2/c17-11-1-3-12(4-2-11)31(26,27)14(8-24)25-30-32(28,29)13-6-9(15(18,19)20)5-10(7-13)16(21,22)23/h1-7H
InChIK	CDFGIVNKGDZOSX-UHFFFAOYSA-N
TotalMolweight	520.814
Molweight	520.814
MonoisotopicMass	519.938908
CLogP	4.1328
CLogS	-4.759
H Acceptors	7
TotalSurfaceArea	319.2
Relative PSA	0.28894
PolarSurfaceArea	130.42
Druglikeness	-25.588
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	16
Electronegative Atoms	16
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	12
StereoCon

Click to Load Molecule:

1 - [(Z)-[(4-chlorophenyl)sulfonyl-cyanomethylidene]amino] 3,5-bis(trifluoromethyl)benzenesulfonate | 2 - [(Z)-[(4-chlorophenyl)sulfonyl-cyanomethylidene]amino] 3,5-bis(trifluoromethyl)benzenesulfonate

Request More Details | [(Z)-[(4-chlorophenyl)sulfonyl-cyanomethylidene]amino] 3,5-bis(trifluoromethyl)benzenesulfonate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments