[(E)-(1-amino-2-thiophen-2-ylsulfonylethylidene)amino] 2-(trifluoromethyl)benzenesulfonate

Formula:C13H11N2O5F3S3 Mutagenic:none Tumorigenic:none Reproductive Effective:none [(E)-(1-amino-2-thiophen-2-ylsulfonylethylidene)amino] 2-(trifluoromethyl)benzenesulfonate is a drug-like molecule.

MolName	[(E)-(1-amino-2-thiophen-2-ylsulfonylethylidene)amino] 2-(trifluoromethyl)benzenesulfonate
MolecularFormula	C13H11N2O5F3S3
Smiles	N/C(/CS(c1cccs1)(=O)=O)=N/OS(c1c(C(F)(F)F)cccc1)(=O)=O
InChI	InChI=1S/C13H11F3N2O5S3/c14-13(15,16)9-4-1-2-5-10(9)26(21,22)23-18-11(17)8-25(19,20)12-6-3-7-24-12/h1-7H,8H2,(H2,17,18)
InChIK	NXFRDKGCHNWYJQ-UHFFFAOYSA-N
TotalMolweight	428.431
Molweight	428.431
MonoisotopicMass	427.978217
CLogP	2.8716
CLogS	-3.415
H Acceptors	7
H Donors	1
TotalSurfaceArea	270.83
Relative PSA	0.42204
PolarSurfaceArea	160.89
Druglikeness	-11.345
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Symmetricatoms	4
StereoCon

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1 - [(E)-(1-amino-2-thiophen-2-ylsulfonylethylidene)amino] 2-(trifluoromethyl)benzenesulfonate | 2 - [(E)-(1-amino-2-thiophen-2-ylsulfonylethylidene)amino] 2-(trifluoromethyl)benzenesulfonate

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