N-[(Z)-(4-bromophenyl)methylideneamino]-1H-indole-2-carboxamide
Formula:C16H12N3OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-1H-indole-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-1H-indole-2-carboxamide |
| MolecularFormula | C16H12N3OBr |
| Smiles | O=C(c1cc(cccc2)c2[nH]1)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C16H12BrN3O/c17-13-7-5-11(6-8-13)10-18-20-16(21)15-9-12-3-1-2-4-14(12)19-15/h1-10,19H,(H,20,21) |
| InChIK | GOZFGOFAVFQAQJ-UHFFFAOYSA-N |
| TotalMolweight | 342.195 |
| Molweight | 342.195 |
| MonoisotopicMass | 341.016373 |
| CLogP | 4.0202 |
| CLogS | -5.104 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 229.79 |
| Relative PSA | 0.21759 |
| PolarSurfaceArea | 57.25 |
| Druglikeness | 3.8053 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| 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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