N-[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]-3-(trifluoromethyl)aniline
Formula:C18H17N2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]-3-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | N-[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]-3-(trifluoromethyl)aniline |
| MolecularFormula | C18H17N2F3 |
| Smiles | FC(c1cc(N/N=C(\CCCC2)/c3c2cccc3)ccc1)(F)F |
| InChI | InChI=1S/C18H17F3N2/c19-18(20,21)14-8-5-9-15(12-14)22-23-17-11-4-2-7-13-6-1-3-10-16(13)17/h1,3,5-6,8-10,12,22H,2,4,7,11H2 |
| InChIK | GEZSDXMYBAVUOC-UHFFFAOYSA-N |
| TotalMolweight | 318.341 |
| Molweight | 318.341 |
| MonoisotopicMass | 318.134382 |
| CLogP | 6.7039 |
| CLogS | -5.146 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 238.45 |
| Relative PSA | 0.09633 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | -11.085 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - N-[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]-3-(trifluoromethyl)aniline | 2 - N-[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]-3-(trifluoromethyl)aniline
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