N-[(Z)-(4-bromophenyl)methylideneamino]-2-indol-1-ylacetamide
Formula:C17H14N3OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-2-indol-1-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-2-indol-1-ylacetamide |
| MolecularFormula | C17H14N3OBr |
| Smiles | O=C(Cn(cc1)c2c1cccc2)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C17H14BrN3O/c18-15-7-5-13(6-8-15)11-19-20-17(22)12-21-10-9-14-3-1-2-4-16(14)21/h1-11H,12H2,(H,20,22) |
| InChIK | VCPGCRKIGQUBJA-UHFFFAOYSA-N |
| TotalMolweight | 356.222 |
| Molweight | 356.222 |
| MonoisotopicMass | 355.032023 |
| CLogP | 3.5936 |
| CLogS | -4.21 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 243.18 |
| Relative PSA | 0.17633 |
| PolarSurfaceArea | 46.39 |
| Druglikeness | 4.2508 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(4-bromophenyl)methylideneamino]-2-indol-1-ylacetamide | 2 - N-[(Z)-(4-bromophenyl)methylideneamino]-2-indol-1-ylacetamide
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