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[(E)-[1-amino-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethylidene]amino] 4-(trifluoromethyl)benzoate

Formula:C18H14N2O4F6S Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-[1-amino-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethylidene]amino] 4-(trifluoromethyl)benzoate is a drug-like molecule.
MolName[(E)-[1-amino-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]ethylidene]amino] 4-(trifluoromethyl)benzoate
MolecularFormulaC18H14N2O4F6S
SmilesN/C(/CS(Cc1cc(C(F)(F)F)ccc1)(=O)=O)=N/OC(c1ccc(C(F)(F)F)cc1)=O
InChIInChI=1S/C18H14F6N2O4S/c19-17(20,21)13-6-4-12(5-7-13)16(27)30-26-15(25)10-31(28,29)9-11-2-1-3-14(8-11)18(22,23)24/h1-8H,9-10H2,(H2,25,26)
InChIKVZZXLVIFHPJHAA-UHFFFAOYSA-N
TotalMolweight468.373
Molweight468.373
MonoisotopicMass468.057846
CLogP3.4856
CLogS-5.321
H Acceptors6
H Donors1
TotalSurfaceArea307.28
Relative PSA0.25514
PolarSurfaceArea107.2
Druglikeness-13.367
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.58065
Fragments1
Non HAtoms31
NonCHAtoms13
Electronegative Atoms13
Rotatable Bond9
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms6
Symmetricatoms7
StereoCon

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