[4-[(Z)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
Formula:C26H19N2O4Cl
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
[4-[(Z)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate |
| MolecularFormula | C26H19N2O4Cl |
| Smiles | O=C(COc(cccc1)c1Cl)N/N=C\c(cc1)ccc1OC(c1cccc2ccccc12)=O |
| InChI | InChI=1S/C26H19ClN2O4/c27-23-10-3-4-11-24(23)32-17-25(30)29-28-16-18-12-14-20(15-13-18)33-26(31)22-9-5-7-19-6-1-2-8-21(19)22/h1-16H,17H2,(H,29,30) |
| InChIK | OSRHWQBVGRDPRD-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 | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| 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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