[4-[(Z)-(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] naphthalene-1-carboxylate
Formula:C24H17N3O3
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
[4-[(Z)-(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] naphthalene-1-carboxylate is a drug-like molecule.
| MolName | [4-[(Z)-(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] naphthalene-1-carboxylate |
| MolecularFormula | C24H17N3O3 |
| Smiles | O=C(c1ncccc1)N/N=C\c(cc1)ccc1OC(c1cccc2ccccc12)=O |
| InChI | InChI=1S/C24H17N3O3/c28-23(22-10-3-4-15-25-22)27-26-16-17-11-13-19(14-12-17)30-24(29)21-9-5-7-18-6-1-2-8-20(18)21/h1-16H,(H,27,28) |
| InChIK | UAIIMWYIESYKOR-UHFFFAOYSA-N |
| TotalMolweight | 395.417 |
| Molweight | 395.417 |
| MonoisotopicMass | 395.126992 |
| CLogP | 4.8796 |
| CLogS | -6.026 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 307.86 |
| Relative PSA | 0.22744 |
| PolarSurfaceArea | 80.65 |
| Druglikeness | 3.9976 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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