[1-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
Formula:C26H19N2O3Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate is not a drug-like molecule.
| MolName | [1-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate |
| MolecularFormula | C26H19N2O3Cl |
| Smiles | O=C(Cc1ccccc1)N/N=C\c(c1ccccc1cc1)c1OC(c(cccc1)c1Cl)=O |
| InChI | InChI=1S/C26H19ClN2O3/c27-23-13-7-6-12-21(23)26(31)32-24-15-14-19-10-4-5-11-20(19)22(24)17-28-29-25(30)16-18-8-2-1-3-9-18/h1-15,17H,16H2,(H,29,30) |
| InChIK | RGDJSRJQJSRHQN-UHFFFAOYSA-N |
| TotalMolweight | 442.901 |
| Molweight | 442.901 |
| MonoisotopicMass | 442.10842 |
| CLogP | 6.4306 |
| CLogS | -7.498 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 338.28 |
| Relative PSA | 0.17456 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | 4.0798 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [1-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate | 2 - [1-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
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