N-[(Z)-anthracen-9-ylmethylideneamino]-2,3,4,5,6-pentafluoroaniline
Formula:C21H11N2F5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-2,3,4,5,6-pentafluoroaniline is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-2,3,4,5,6-pentafluoroaniline |
| MolecularFormula | C21H11N2F5 |
| Smiles | Fc(c(N/N=C\c1c(cccc2)c2cc2ccccc12)c(c(F)c1F)F)c1F |
| InChI | InChI=1S/C21H11F5N2/c22-16-17(23)19(25)21(20(26)18(16)24)28-27-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-10,28H |
| InChIK | PVVDIZHZPSUJNQ-UHFFFAOYSA-N |
| TotalMolweight | 386.322 |
| Molweight | 386.322 |
| MonoisotopicMass | 386.084238 |
| CLogP | 7.7337 |
| CLogS | -7.931 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 270.19 |
| Relative PSA | 0.085014 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | 1.0825 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Symmetricatoms | 10 |
| StereoCon |
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1 - N-[(Z)-anthracen-9-ylmethylideneamino]-2,3,4,5,6-pentafluoroaniline | 2 - N-[(Z)-anthracen-9-ylmethylideneamino]-2,3,4,5,6-pentafluoroaniline
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