N-[2-[(2Z)-2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]-2-iodobenzamide
Formula:C24H18N3O2I
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[2-[(2Z)-2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]-2-iodobenzamide is not a drug-like molecule.
| MolName | N-[2-[(2Z)-2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]-2-iodobenzamide |
| MolecularFormula | C24H18N3O2I |
| Smiles | O=C(CNC(c(cccc1)c1I)=O)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C24H18IN3O2/c25-22-12-6-5-11-20(22)24(30)26-15-23(29)28-27-14-21-18-9-3-1-7-16(18)13-17-8-2-4-10-19(17)21/h1-14H,15H2,(H,26,30)(H,28,29) |
| InChIK | YNWIMWLUQUTPKN-UHFFFAOYSA-N |
| TotalMolweight | 507.326 |
| Molweight | 507.326 |
| MonoisotopicMass | 507.044375 |
| CLogP | 5.1112 |
| CLogS | -7.716 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 325.44 |
| Relative PSA | 0.18593 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 5.7402 |
| 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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