[2,4-dibromo-6-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate
Formula:C26H18N3O3Br2I
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
[2,4-dibromo-6-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate is not a drug-like molecule.
| MolName | [2,4-dibromo-6-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate |
| MolecularFormula | C26H18N3O3Br2I |
| Smiles | O=C(CNc1cc2ccccc2cc1)N/N=C\c1cc(Br)cc(Br)c1OC(c(cccc1)c1I)=O |
| InChI | InChI=1S/C26H18Br2IN3O3/c27-19-11-18(25(22(28)13-19)35-26(34)21-7-3-4-8-23(21)29)14-31-32-24(33)15-30-20-10-9-16-5-1-2-6-17(16)12-20/h1-14,30H,15H2,(H,32,33) |
| InChIK | LWETXAXQSGFYDS-UHFFFAOYSA-N |
| TotalMolweight | 707.155 |
| Molweight | 707.155 |
| MonoisotopicMass | 704.875962 |
| CLogP | 7.0059 |
| CLogS | -9.303 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 397.86 |
| Relative PSA | 0.17722 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 3.3117 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - [2,4-dibromo-6-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate | 2 - [2,4-dibromo-6-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate
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