N-[(Z)-(1,2-diphenylindol-3-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
Formula:C27H19N4F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-(1,2-diphenylindol-3-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(1,2-diphenylindol-3-yl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine |
| MolecularFormula | C27H19N4F3 |
| Smiles | FC(c(cc1)cnc1N/N=C\c(c1c2cccc1)c(-c1ccccc1)n2-c1ccccc1)(F)F |
| InChI | InChI=1S/C27H19F3N4/c28-27(29,30)20-15-16-25(31-17-20)33-32-18-23-22-13-7-8-14-24(22)34(21-11-5-2-6-12-21)26(23)19-9-3-1-4-10-19/h1-18H,(H,31,33) |
| InChIK | KQYDEEFYTHABII-UHFFFAOYSA-N |
| TotalMolweight | 456.47 |
| Molweight | 456.47 |
| MonoisotopicMass | 456.15618 |
| CLogP | 8.2917 |
| CLogS | -9.249 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 340.78 |
| Relative PSA | 0.11975 |
| PolarSurfaceArea | 42.21 |
| Druglikeness | -3.4033 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.47059 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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