| MolName | 2,6-dichloro-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-4-(trifluoromethyl)aniline |
| MolecularFormula | C17H13N2Cl2F3 |
| Smiles | FC(c(cc1Cl)cc(Cl)c1N/N=C(\CCC1)/c2c1cccc2)(F)F |
| InChI | InChI=1S/C17H13Cl2F3N2/c18-13-8-11(17(20,21)22)9-14(19)16(13)24-23-15-7-3-5-10-4-1-2-6-12(10)15/h1-2,4,6,8-9,24H,3,5,7H2 |
| InChIK | LOGJDNRPTIDJEH-UHFFFAOYSA-N |
| TotalMolweight | 373.204 |
| Molweight | 373.204 |
| MonoisotopicMass | 372.040786 |
| CLogP | 7.5739 |
| CLogS | -6.348 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 255.53 |
| Relative PSA | 0.089892 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | -8.7234 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - 2,6-dichloro-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-4-(trifluoromethyl)aniline | 2 - 2,6-dichloro-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-4-(trifluoromethyl)aniline