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[(E)-[amino-[3-(trifluoromethyl)phenyl]methylidene]amino] 5-(2-phenylethynyl)pyridine-3-carboxylate

Formula:C22H14N3O2F3 Mutagenic:high Tumorigenic:none Reproductive Effective:none [(E)-[amino-[3-(trifluoromethyl)phenyl]methylidene]amino] 5-(2-phenylethynyl)pyridine-3-carboxylate is not a drug-like molecule.
MolName[(E)-[amino-[3-(trifluoromethyl)phenyl]methylidene]amino] 5-(2-phenylethynyl)pyridine-3-carboxylate
MolecularFormulaC22H14N3O2F3
SmilesN/C(/c1cccc(C(F)(F)F)c1)=N/OC(c1cncc(C#Cc2ccccc2)c1)=O
InChIInChI=1S/C22H14F3N3O2/c23-22(24,25)19-8-4-7-17(12-19)20(26)28-30-21(29)18-11-16(13-27-14-18)10-9-15-5-2-1-3-6-15/h1-8,11-14H,(H2,26,28)
InChIKWXXJHSWZCQLVDR-UHFFFAOYSA-N
TotalMolweight409.366
Molweight409.366
MonoisotopicMass409.103811
CLogP5.1035
CLogS-4.555
H Acceptors5
H Donors1
TotalSurfaceArea310.04
Relative PSA0.19607
PolarSurfaceArea77.57
Druglikeness-13.674
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.6
Fragments1
Non HAtoms30
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond6
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms2
Symmetricatoms4
Aromatic Nitrogens1
StereoCon

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