[(E)-[1-amino-2-(benzenesulfonyl)ethylidene]amino] 2-(trifluoromethyl)benzoate

Formula:C16H13N2O4F3S Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-[1-amino-2-(benzenesulfonyl)ethylidene]amino] 2-(trifluoromethyl)benzoate is a drug-like molecule.

MolName	[(E)-[1-amino-2-(benzenesulfonyl)ethylidene]amino] 2-(trifluoromethyl)benzoate
MolecularFormula	C16H13N2O4F3S
Smiles	N/C(/CS(c1ccccc1)(=O)=O)=N/OC(c1c(C(F)(F)F)cccc1)=O
InChI	InChI=1S/C16H13F3N2O4S/c17-16(18,19)13-9-5-4-8-12(13)15(22)25-21-14(20)10-26(23,24)11-6-2-1-3-7-11/h1-9H,10H2,(H2,20,21)
InChIK	PEDVNCUHOYNGFA-UHFFFAOYSA-N
TotalMolweight	386.349
Molweight	386.349
MonoisotopicMass	386.054812
CLogP	2.658
CLogS	-4.425
H Acceptors	6
H Donors	1
TotalSurfaceArea	264.06
Relative PSA	0.2969
PolarSurfaceArea	107.2
Druglikeness	-27.568
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	5
StereoCon

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1 - [(E)-[1-amino-2-(benzenesulfonyl)ethylidene]amino] 2-(trifluoromethyl)benzoate | 2 - [(E)-[1-amino-2-(benzenesulfonyl)ethylidene]amino] 2-(trifluoromethyl)benzoate

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