[1-[(Z)-[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
Formula:C25H15N2O3Cl3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate is not a drug-like molecule.
| MolName | [1-[(Z)-[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate |
| MolecularFormula | C25H15N2O3Cl3 |
| Smiles | O=C(c(cc1)cc(Cl)c1Cl)N/N=C\c(c1ccccc1cc1)c1OC(c(cccc1)c1Cl)=O |
| InChI | InChI=1S/C25H15Cl3N2O3/c26-20-8-4-3-7-18(20)25(32)33-23-12-10-15-5-1-2-6-17(15)19(23)14-29-30-24(31)16-9-11-21(27)22(28)13-16/h1-14H,(H,30,31) |
| InChIK | BMDBZSVZHVSZAJ-UHFFFAOYSA-N |
| TotalMolweight | 497.764 |
| Molweight | 497.764 |
| MonoisotopicMass | 496.014824 |
| CLogP | 7.6445 |
| CLogS | -9.005 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 355.36 |
| Relative PSA | 0.16617 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | 4.0416 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| 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)-[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate | 2 - [1-[(Z)-[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
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