[1-[(Z)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
Formula:C26H18N2O4Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate is not a drug-like molecule.
| MolName | [1-[(Z)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate |
| MolecularFormula | C26H18N2O4Cl2 |
| Smiles | O=C(COc(cccc1)c1Cl)N/N=C\c(c1ccccc1cc1)c1OC(c(cccc1)c1Cl)=O |
| InChI | InChI=1S/C26H18Cl2N2O4/c27-21-10-4-3-9-19(21)26(32)34-23-14-13-17-7-1-2-8-18(17)20(23)15-29-30-25(31)16-33-24-12-6-5-11-22(24)28/h1-15H,16H2,(H,30,31) |
| InChIK | LETVMGWWILKXNF-UHFFFAOYSA-N |
| TotalMolweight | 493.345 |
| Molweight | 493.345 |
| MonoisotopicMass | 492.064362 |
| CLogP | 6.6134 |
| CLogS | -8.049 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 363.7 |
| Relative PSA | 0.18985 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 4.0206 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| StereoCon |
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1 - [1-[(Z)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate | 2 - [1-[(Z)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
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