5-bromo-3-phenyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-indole-2-carboxamide
Formula:C24H18N3OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
5-bromo-3-phenyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-indole-2-carboxamide is not a drug-like molecule.
| MolName | 5-bromo-3-phenyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1H-indole-2-carboxamide |
| MolecularFormula | C24H18N3OBr |
| Smiles | O=C(c([nH]c(cc1)c2cc1Br)c2-c1ccccc1)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C24H18BrN3O/c25-19-13-14-21-20(16-19)22(18-11-5-2-6-12-18)23(27-21)24(29)28-26-15-7-10-17-8-3-1-4-9-17/h1-16,27H,(H,28,29) |
| InChIK | PEEHLELGROHBNP-UHFFFAOYSA-N |
| TotalMolweight | 444.331 |
| Molweight | 444.331 |
| MonoisotopicMass | 443.063323 |
| CLogP | 5.6977 |
| CLogS | -7.482 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 316.05 |
| Relative PSA | 0.1582 |
| PolarSurfaceArea | 57.25 |
| Druglikeness | 3.8205 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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