[4-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate
Formula:C27H20N2O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate is not a drug-like molecule.
| MolName | [4-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate |
| MolecularFormula | C27H20N2O6 |
| Smiles | O=C(COc1cccc2ccccc12)N/N=C\c(cc1)ccc1OC(c(cc1)cc2c1OCO2)=O |
| InChI | InChI=1S/C27H20N2O6/c30-26(16-32-23-7-3-5-19-4-1-2-6-22(19)23)29-28-15-18-8-11-21(12-9-18)35-27(31)20-10-13-24-25(14-20)34-17-33-24/h1-15H,16-17H2,(H,29,30) |
| InChIK | VNHFKPKGSXCMCY-UHFFFAOYSA-N |
| TotalMolweight | 468.464 |
| Molweight | 468.464 |
| MonoisotopicMass | 468.132138 |
| CLogP | 5.5128 |
| CLogS | -7.288 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 353.12 |
| Relative PSA | 0.25218 |
| PolarSurfaceArea | 95.45 |
| Druglikeness | 3.9371 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62857 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [4-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate | 2 - [4-[(Z)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate
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