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[(E)-[1-amino-2-[(4-fluorophenyl)methylsulfonyl]ethylidene]amino] 2-(trifluoromethyl)benzoate

Formula:C17H14N2O4F4S Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-[1-amino-2-[(4-fluorophenyl)methylsulfonyl]ethylidene]amino] 2-(trifluoromethyl)benzoate is a drug-like molecule.
MolName[(E)-[1-amino-2-[(4-fluorophenyl)methylsulfonyl]ethylidene]amino] 2-(trifluoromethyl)benzoate
MolecularFormulaC17H14N2O4F4S
SmilesN/C(/CS(Cc(cc1)ccc1F)(=O)=O)=N/OC(c1c(C(F)(F)F)cccc1)=O
InChIInChI=1S/C17H14F4N2O4S/c18-12-7-5-11(6-8-12)9-28(25,26)10-15(22)23-27-16(24)13-3-1-2-4-14(13)17(19,20)21/h1-8H,9-10H2,(H2,22,23)
InChIKIYSRFZDYZJLROY-UHFFFAOYSA-N
TotalMolweight418.366
Molweight418.366
MonoisotopicMass418.06104
CLogP2.7381
CLogS-4.857
H Acceptors6
H Donors1
TotalSurfaceArea284.17
Relative PSA0.27589
PolarSurfaceArea107.2
Druglikeness-17.125
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.57143
Fragments1
Non HAtoms28
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond8
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms5
Symmetricatoms5
StereoCon

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