2-[(Z)-[[4-(naphthalen-2-yloxymethyl)benzoyl]hydrazinylidene]methyl]benzoate
Formula:C26H19N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[[4-(naphthalen-2-yloxymethyl)benzoyl]hydrazinylidene]methyl]benzoate is a drug-like molecule.
| MolName | 2-[(Z)-[[4-(naphthalen-2-yloxymethyl)benzoyl]hydrazinylidene]methyl]benzoate |
| MolecularFormula | C26H19N2O4 |
| Smiles | [O-]C(c1c(/C=N\NC(c2ccc(COc3cc4ccccc4cc3)cc2)=O)cccc1)=O |
| InChI | InChI=1S/C26H20N2O4/c29-25(28-27-16-22-7-3-4-8-24(22)26(30)31)20-11-9-18(10-12-20)17-32-23-14-13-19-5-1-2-6-21(19)15-23/h1-16H,17H2,(H,28,29)(H,30,31)/p-1 |
| InChIK | KFBNXYPIDPQZQX-UHFFFAOYSA-M |
| TotalMolweight | 423.447 |
| Molweight | 423.447 |
| MonoisotopicMass | 423.134483 |
| CLogP | 3.1532 |
| CLogS | -6.681 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 330.39 |
| Relative PSA | 0.22195 |
| PolarSurfaceArea | 90.82 |
| Druglikeness | 4.069 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| 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 | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(Z)-[[4-(naphthalen-2-yloxymethyl)benzoyl]hydrazinylidene]methyl]benzoate | 2 - 2-[(Z)-[[4-(naphthalen-2-yloxymethyl)benzoyl]hydrazinylidene]methyl]benzoate
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