[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino] 4-fluorobenzoate
Formula:C17H14NO2F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino] 4-fluorobenzoate is a drug-like molecule.
| MolName | [(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino] 4-fluorobenzoate |
| MolecularFormula | C17H14NO2F |
| Smiles | O=C(c(cc1)ccc1F)O/N=C(\CCC1)/c2c1cccc2 |
| InChI | InChI=1S/C17H14FNO2/c18-14-10-8-13(9-11-14)17(20)21-19-16-7-3-5-12-4-1-2-6-15(12)16/h1-2,4,6,8-11H,3,5,7H2 |
| InChIK | DLGPJPAZWZLENV-UHFFFAOYSA-N |
| TotalMolweight | 283.301 |
| Molweight | 283.301 |
| MonoisotopicMass | 283.100857 |
| CLogP | 4.6916 |
| CLogS | -5.034 |
| H Acceptors | 3 |
| TotalSurfaceArea | 217.87 |
| Relative PSA | 0.15858 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -6.6506 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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