[4-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
Formula:C28H22N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate is not a drug-like molecule.
| MolName | [4-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate |
| MolecularFormula | C28H22N2O4 |
| Smiles | O=C(COc1cccc2ccccc12)N/N=C\c(cc1)ccc1OC(/C=C/c1ccccc1)=O |
| InChI | InChI=1S/C28H22N2O4/c31-27(20-33-26-12-6-10-23-9-4-5-11-25(23)26)30-29-19-22-13-16-24(17-14-22)34-28(32)18-15-21-7-2-1-3-8-21/h1-19H,20H2,(H,30,31) |
| InChIK | BPDRDBHSFFWBMV-UHFFFAOYSA-N |
| TotalMolweight | 450.493 |
| Molweight | 450.493 |
| MonoisotopicMass | 450.157958 |
| CLogP | 5.7306 |
| CLogS | -6.947 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 359.36 |
| Relative PSA | 0.19215 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 1.8766 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67647 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - [4-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate | 2 - [4-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate
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