N-[(Z)-anthracen-9-ylmethylideneamino]-5-(trifluoromethyl)pyridin-2-amine
Formula:C21H14N3F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-5-(trifluoromethyl)pyridin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-5-(trifluoromethyl)pyridin-2-amine |
| MolecularFormula | C21H14N3F3 |
| Smiles | FC(c(cc1)cnc1N/N=C\c1c(cccc2)c2cc2ccccc12)(F)F |
| InChI | InChI=1S/C21H14F3N3/c22-21(23,24)16-9-10-20(25-12-16)27-26-13-19-17-7-3-1-5-14(17)11-15-6-2-4-8-18(15)19/h1-13H,(H,25,27) |
| InChIK | PEKOEHYEXSJWCB-UHFFFAOYSA-N |
| TotalMolweight | 365.357 |
| Molweight | 365.357 |
| MonoisotopicMass | 365.113981 |
| CLogP | 7.4285 |
| CLogS | -6.869 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 266.66 |
| Relative PSA | 0.12728 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | -4.7675 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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