(Z)-1-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]-N-(1,2,4-triazol-4-yl)methanimine

Formula:C20H15N4OF Mutagenic:high Tumorigenic:high Reproductive Effective:none (Z)-1-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]-N-(1,2,4-triazol-4-yl)methanimine is a drug-like molecule.

MolName(Z)-1-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]-N-(1,2,4-triazol-4-yl)methanimine
MolecularFormulaC20H15N4OF
SmilesFc1c(COc2c(/C=N\n3cnnc3)c3ccccc3cc2)cccc1
InChIInChI=1S/C20H15FN4O/c21-19-8-4-2-6-16(19)12-26-20-10-9-15-5-1-3-7-17(15)18(20)11-24-25-13-22-23-14-25/h1-11,13-14H,12H2
InChIKJCIYXJFMQCYXIK-UHFFFAOYSA-N
TotalMolweight346.364
Molweight346.364
MonoisotopicMass346.122989
CLogP3.8716
CLogS-7.571
H Acceptors5
TotalSurfaceArea268.97
Relative PSA0.18708
PolarSurfaceArea52.3
Druglikeness1.7186
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.5
Fragments1
Non HAtoms26
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond5
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms21
Sp3Atoms2
Symmetricatoms2
Aromatic Nitrogens3
StereoCon

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