[(E)-(1-amino-2-thiophen-2-ylsulfanylethylidene)amino] 3,5-bis(trifluoromethyl)benzoate

Formula:C15H10N2O2F6S2 Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-(1-amino-2-thiophen-2-ylsulfanylethylidene)amino] 3,5-bis(trifluoromethyl)benzoate is a drug-like molecule.

MolName	[(E)-(1-amino-2-thiophen-2-ylsulfanylethylidene)amino] 3,5-bis(trifluoromethyl)benzoate
MolecularFormula	C15H10N2O2F6S2
Smiles	N/C(/CSc1cccs1)=N/OC(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)=O
InChI	InChI=1S/C15H10F6N2O2S2/c16-14(17,18)9-4-8(5-10(6-9)15(19,20)21)13(24)25-23-11(22)7-27-12-2-1-3-26-12/h1-6H,7H2,(H2,22,23)
InChIK	BCTXXPFJTYXRLF-UHFFFAOYSA-N
TotalMolweight	428.376
Molweight	428.376
MonoisotopicMass	428.008786
CLogP	4.9706
CLogS	-5.551
H Acceptors	4
H Donors	1
TotalSurfaceArea	278.37
Relative PSA	0.31494
PolarSurfaceArea	118.22
Druglikeness	-8.8395
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Symmetricatoms	8
StereoCon

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1 - [(E)-(1-amino-2-thiophen-2-ylsulfanylethylidene)amino] 3,5-bis(trifluoromethyl)benzoate | 2 - [(E)-(1-amino-2-thiophen-2-ylsulfanylethylidene)amino] 3,5-bis(trifluoromethyl)benzoate

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