[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino] 3-(trifluoromethyl)benzoate
Formula:C18H14NO2F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino] 3-(trifluoromethyl)benzoate is not a drug-like molecule.
| MolName | [(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino] 3-(trifluoromethyl)benzoate |
| MolecularFormula | C18H14NO2F3 |
| Smiles | O=C(c1cccc(C(F)(F)F)c1)O/N=C(\CCC1)/c2c1cccc2 |
| InChI | InChI=1S/C18H14F3NO2/c19-18(20,21)14-8-3-7-13(11-14)17(23)24-22-16-10-4-6-12-5-1-2-9-15(12)16/h1-3,5,7-9,11H,4,6,10H2 |
| InChIK | LMTIPXUTFBQQPU-UHFFFAOYSA-N |
| TotalMolweight | 333.308 |
| Molweight | 333.308 |
| MonoisotopicMass | 333.097663 |
| CLogP | 5.4391 |
| CLogS | -5.498 |
| H Acceptors | 3 |
| TotalSurfaceArea | 240.98 |
| Relative PSA | 0.14337 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -12.501 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| StereoCon |
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