N-[(Z)-(4-chlorophenyl)methylideneamino]-5-(trifluoromethoxy)-1H-indole-2-carboxamide
Formula:C17H11N3O2ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chlorophenyl)methylideneamino]-5-(trifluoromethoxy)-1H-indole-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-5-(trifluoromethoxy)-1H-indole-2-carboxamide |
| MolecularFormula | C17H11N3O2ClF3 |
| Smiles | O=C(c1cc(cc(cc2)OC(F)(F)F)c2[nH]1)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C17H11ClF3N3O2/c18-12-3-1-10(2-4-12)9-22-24-16(25)15-8-11-7-13(26-17(19,20)21)5-6-14(11)23-15/h1-9,23H,(H,24,25) |
| InChIK | AUUVYGBLIQCGTO-UHFFFAOYSA-N |
| TotalMolweight | 381.74 |
| Molweight | 381.74 |
| MonoisotopicMass | 381.049188 |
| CLogP | 5 |
| CLogS | -6.029 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 266.04 |
| Relative PSA | 0.22553 |
| PolarSurfaceArea | 66.48 |
| Druglikeness | -2.4684 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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