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[(E)-[amino-[3-(trifluoromethyl)phenyl]methylidene]amino] 5-thiophen-2-ylthiophene-2-carboxylate

Formula:C17H11N2O2F3S2 Mutagenic:high Tumorigenic:none Reproductive Effective:none [(E)-[amino-[3-(trifluoromethyl)phenyl]methylidene]amino] 5-thiophen-2-ylthiophene-2-carboxylate is not a drug-like molecule.
MolName[(E)-[amino-[3-(trifluoromethyl)phenyl]methylidene]amino] 5-thiophen-2-ylthiophene-2-carboxylate
MolecularFormulaC17H11N2O2F3S2
SmilesN/C(/c1cc(C(F)(F)F)ccc1)=N/OC(c1ccc(-c2cccs2)s1)=O
InChIInChI=1S/C17H11F3N2O2S2/c18-17(19,20)11-4-1-3-10(9-11)15(21)22-24-16(23)14-7-6-13(26-14)12-5-2-8-25-12/h1-9H,(H2,21,22)
InChIKBPAODJMFXDDVSH-UHFFFAOYSA-N
TotalMolweight396.412
Molweight396.412
MonoisotopicMass396.021402
CLogP5.7088
CLogS-6.352
H Acceptors4
H Donors1
TotalSurfaceArea273.36
Relative PSA0.33121
PolarSurfaceArea121.16
Druglikeness-7.055
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.57692
Fragments1
Non HAtoms26
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond6
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms16
Sp3Atoms2
Symmetricatoms2
StereoCon

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