N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-4-(1,1,2,2-tetrafluoroethoxy)benzamide
Formula:C25H19N3O2F4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-4-(1,1,2,2-tetrafluoroethoxy)benzamide is not a drug-like molecule.
| MolName | N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-4-(1,1,2,2-tetrafluoroethoxy)benzamide |
| MolecularFormula | C25H19N3O2F4 |
| Smiles | O=C(c(cc1)ccc1OC(C(F)F)(F)F)N/N=C\c1cn(Cc2ccccc2)c2c1cccc2 |
| InChI | InChI=1S/C25H19F4N3O2/c26-24(27)25(28,29)34-20-12-10-18(11-13-20)23(33)31-30-14-19-16-32(15-17-6-2-1-3-7-17)22-9-5-4-8-21(19)22/h1-14,16,24H,15H2,(H,31,33) |
| InChIK | OGBHNKLDFOWGNC-UHFFFAOYSA-N |
| TotalMolweight | 469.437 |
| Molweight | 469.437 |
| MonoisotopicMass | 469.141339 |
| CLogP | 5.5453 |
| CLogS | -6.153 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 342.62 |
| Relative PSA | 0.15434 |
| PolarSurfaceArea | 55.62 |
| Druglikeness | -5.5344 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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