4-[(Z)-[[4-(naphthalen-2-yloxymethyl)benzoyl]hydrazinylidene]methyl]benzoic acid
Formula:C26H20N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[[4-(naphthalen-2-yloxymethyl)benzoyl]hydrazinylidene]methyl]benzoic acid is not a drug-like molecule.
| MolName | 4-[(Z)-[[4-(naphthalen-2-yloxymethyl)benzoyl]hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C26H20N2O4 |
| Smiles | OC(c1ccc(/C=N\NC(c2ccc(COc3cc4ccccc4cc3)cc2)=O)cc1)=O |
| InChI | InChI=1S/C26H20N2O4/c29-25(28-27-16-18-5-11-22(12-6-18)26(30)31)21-9-7-19(8-10-21)17-32-24-14-13-20-3-1-2-4-23(20)15-24/h1-16H,17H2,(H,28,29)(H,30,31) |
| InChIK | CEHKWXXBRZDLRW-UHFFFAOYSA-N |
| TotalMolweight | 424.455 |
| Molweight | 424.455 |
| MonoisotopicMass | 424.142308 |
| CLogP | 5.2292 |
| CLogS | -6.681 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 329.21 |
| Relative PSA | 0.21916 |
| PolarSurfaceArea | 87.99 |
| Druglikeness | 3.8379 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6875 |
| 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 | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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