[3-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] benzoate
Formula:C20H15N3O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
[3-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] benzoate is a drug-like molecule.
| MolName | [3-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] benzoate |
| MolecularFormula | C20H15N3O3 |
| Smiles | O=C(c1ccncc1)N/N=C\c1cccc(OC(c2ccccc2)=O)c1 |
| InChI | InChI=1S/C20H15N3O3/c24-19(16-9-11-21-12-10-16)23-22-14-15-5-4-8-18(13-15)26-20(25)17-6-2-1-3-7-17/h1-14H,(H,23,24) |
| InChIK | AOWODOOTGOQNJG-UHFFFAOYSA-N |
| TotalMolweight | 345.357 |
| Molweight | 345.357 |
| MonoisotopicMass | 345.111342 |
| CLogP | 3.6312 |
| CLogS | -4.396 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 273.26 |
| Relative PSA | 0.25624 |
| PolarSurfaceArea | 80.65 |
| Druglikeness | 3.9976 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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