N-[2-[(2Z)-2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-bromobenzamide
Formula:C24H18N3O2Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[2-[(2Z)-2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-bromobenzamide is not a drug-like molecule.
| MolName | N-[2-[(2Z)-2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-bromobenzamide |
| MolecularFormula | C24H18N3O2Br |
| Smiles | O=C(CNC(c1cccc(Br)c1)=O)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C24H18BrN3O2/c25-19-9-5-8-18(13-19)24(30)26-15-23(29)28-27-14-22-20-10-3-1-6-16(20)12-17-7-2-4-11-21(17)22/h1-14H,15H2,(H,26,30)(H,28,29) |
| InChIK | FOSHBBWRVSHGPM-UHFFFAOYSA-N |
| TotalMolweight | 460.33 |
| Molweight | 460.33 |
| MonoisotopicMass | 459.058238 |
| CLogP | 5.3993 |
| CLogS | -7.534 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 317.79 |
| Relative PSA | 0.19041 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 3.5387 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - N-[2-[(2Z)-2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-bromobenzamide | 2 - N-[2-[(2Z)-2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-bromobenzamide
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