5-bromo-3-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-indole-2-carboxamide
Formula:C20H14N3OBrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
5-bromo-3-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-indole-2-carboxamide is not a drug-like molecule.
| MolName | 5-bromo-3-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-indole-2-carboxamide |
| MolecularFormula | C20H14N3OBrS |
| Smiles | O=C(c([nH]c(cc1)c2cc1Br)c2-c1ccccc1)N/N=C\c1cccs1 |
| InChI | InChI=1S/C20H14BrN3OS/c21-14-8-9-17-16(11-14)18(13-5-2-1-3-6-13)19(23-17)20(25)24-22-12-15-7-4-10-26-15/h1-12,23H,(H,24,25) |
| InChIK | UHLAEZHSPDECTQ-UHFFFAOYSA-N |
| TotalMolweight | 424.321 |
| Molweight | 424.321 |
| MonoisotopicMass | 423.004093 |
| CLogP | 5.546 |
| CLogS | -7.2 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 285.49 |
| Relative PSA | 0.24645 |
| PolarSurfaceArea | 85.49 |
| Druglikeness | 5.1819 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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