N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-carbazol-9-ylpropanamide
Formula:C24H20N3OBr
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-carbazol-9-ylpropanamide is not a drug-like molecule.
| MolName | N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-carbazol-9-ylpropanamide |
| MolecularFormula | C24H20N3OBr |
| Smiles | O=C(CCn1c(cccc2)c2c2c1cccc2)N/N=C\C(\Br)=C\c1ccccc1 |
| InChI | InChI=1S/C24H20BrN3O/c25-19(16-18-8-2-1-3-9-18)17-26-27-24(29)14-15-28-22-12-6-4-10-20(22)21-11-5-7-13-23(21)28/h1-13,16-17H,14-15H2,(H,27,29) |
| InChIK | HBOSTFWAVPUHEX-UHFFFAOYSA-N |
| TotalMolweight | 446.347 |
| Molweight | 446.347 |
| MonoisotopicMass | 445.078973 |
| CLogP | 5.2506 |
| CLogS | -6.272 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 316.25 |
| Relative PSA | 0.13559 |
| PolarSurfaceArea | 46.39 |
| Druglikeness | 0.92458 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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