[1-[(Z)-[(2-iodobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
Formula:C25H15N2O3Cl2I
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-[(2-iodobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate is not a drug-like molecule.
| MolName | [1-[(Z)-[(2-iodobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate |
| MolecularFormula | C25H15N2O3Cl2I |
| Smiles | O=C(c(cccc1)c1I)N/N=C\c(c1ccccc1cc1)c1OC(c(ccc(Cl)c1)c1Cl)=O |
| InChI | InChI=1S/C25H15Cl2IN2O3/c26-16-10-11-18(21(27)13-16)25(32)33-23-12-9-15-5-1-2-6-17(15)20(23)14-29-30-24(31)19-7-3-4-8-22(19)28/h1-14H,(H,30,31) |
| InChIK | BTKOCMODVYVNFZ-UHFFFAOYSA-N |
| TotalMolweight | 589.211 |
| Molweight | 589.211 |
| MonoisotopicMass | 587.950445 |
| CLogP | 7.4756 |
| CLogS | -9.285 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 366.22 |
| Relative PSA | 0.16124 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | 4.4939 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| StereoCon |
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1 - [1-[(Z)-[(2-iodobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate | 2 - [1-[(Z)-[(2-iodobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
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