N-[4-[[(Z)-anthracen-9-ylmethylideneamino]carbamoyl]phenyl]-2-bromobenzamide
Formula:C29H20N3O2Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[4-[[(Z)-anthracen-9-ylmethylideneamino]carbamoyl]phenyl]-2-bromobenzamide is not a drug-like molecule.
| MolName | N-[4-[[(Z)-anthracen-9-ylmethylideneamino]carbamoyl]phenyl]-2-bromobenzamide |
| MolecularFormula | C29H20N3O2Br |
| Smiles | O=C(c(cc1)ccc1NC(c(cccc1)c1Br)=O)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C29H20BrN3O2/c30-27-12-6-5-11-25(27)29(35)32-22-15-13-19(14-16-22)28(34)33-31-18-26-23-9-3-1-7-20(23)17-21-8-2-4-10-24(21)26/h1-18H,(H,32,35)(H,33,34) |
| InChIK | UNMZSLZNAKEGSB-UHFFFAOYSA-N |
| TotalMolweight | 522.401 |
| Molweight | 522.401 |
| MonoisotopicMass | 521.073888 |
| CLogP | 7.4631 |
| CLogS | -9.279 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 363.79 |
| Relative PSA | 0.16633 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 3.1092 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54286 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[4-[[(Z)-anthracen-9-ylmethylideneamino]carbamoyl]phenyl]-2-bromobenzamide | 2 - N-[4-[[(Z)-anthracen-9-ylmethylideneamino]carbamoyl]phenyl]-2-bromobenzamide
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