[4-[(Z)-[[(2R)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
Formula:C26H20N2O4
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
[4-[(Z)-[[(2R)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate is a drug-like molecule.
| MolName | [4-[(Z)-[[(2R)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate |
| MolecularFormula | C26H20N2O4 |
| Smiles | O[C@@H](C(N/N=C\c(cc1)ccc1OC(c1cccc2ccccc12)=O)=O)c1ccccc1 |
| InChI | InChI=1S/C26H20N2O4/c29-24(20-8-2-1-3-9-20)25(30)28-27-17-18-13-15-21(16-14-18)32-26(31)23-12-6-10-19-7-4-5-11-22(19)23/h1-17,24,29H,(H,28,30)/t24-/m1/s1 |
| InChIK | RWENPGWEGKHKDY-XMMPIXPASA-N |
| TotalMolweight | 424.455 |
| Molweight | 424.455 |
| MonoisotopicMass | 424.142308 |
| CLogP | 4.7545 |
| CLogS | -6.214 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 327.95 |
| Relative PSA | 0.22 |
| PolarSurfaceArea | 87.99 |
| Druglikeness | 4.8893 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon | this enantiomer |
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1 - [4-[(Z)-[[(2R)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate | 2 - [4-[(Z)-[[(2R)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
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