N-[(E)-(4-bromophenyl)methylideneamino]-1H-indole-7-carboxamide
Formula:C16H12N3OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-(4-bromophenyl)methylideneamino]-1H-indole-7-carboxamide is a drug-like molecule.
| MolName | N-[(E)-(4-bromophenyl)methylideneamino]-1H-indole-7-carboxamide |
| MolecularFormula | C16H12N3OBr |
| Smiles | O=C(c1c2[nH]ccc2ccc1)N/N=C/c(cc1)ccc1Br |
| InChI | InChI=1S/C16H12BrN3O/c17-13-6-4-11(5-7-13)10-19-20-16(21)14-3-1-2-12-8-9-18-15(12)14/h1-10,18H,(H,20,21) |
| InChIK | NHKQLVDLNXMTLU-UHFFFAOYSA-N |
| TotalMolweight | 342.195 |
| Molweight | 342.195 |
| MonoisotopicMass | 341.016373 |
| CLogP | 3.9662 |
| CLogS | -5.08 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 229.79 |
| Relative PSA | 0.21759 |
| PolarSurfaceArea | 57.25 |
| Druglikeness | 2.8071 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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