[1-[(Z)-[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
Formula:C26H19N2O4Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate is not a drug-like molecule.
| MolName | [1-[(Z)-[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate |
| MolecularFormula | C26H19N2O4Cl |
| Smiles | O=C(COc1cccc(Cl)c1)N/N=C\c(c1ccccc1cc1)c1OC(c1ccccc1)=O |
| InChI | InChI=1S/C26H19ClN2O4/c27-20-10-6-11-21(15-20)32-17-25(30)29-28-16-23-22-12-5-4-7-18(22)13-14-24(23)33-26(31)19-8-2-1-3-9-19/h1-16H,17H2,(H,29,30) |
| InChIK | GRGVRBQMIGMQMK-UHFFFAOYSA-N |
| TotalMolweight | 458.9 |
| Molweight | 458.9 |
| MonoisotopicMass | 458.103335 |
| CLogP | 6.0074 |
| CLogS | -7.313 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 348.28 |
| Relative PSA | 0.19826 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 4.0206 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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