[4-[(Z)-(phenylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate
Formula:C19H15N3O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
[4-[(Z)-(phenylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate is not a drug-like molecule.
| MolName | [4-[(Z)-(phenylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate |
| MolecularFormula | C19H15N3O2 |
| Smiles | O=C(c1cnccc1)Oc1ccc(/C=N\Nc2ccccc2)cc1 |
| InChI | InChI=1S/C19H15N3O2/c23-19(16-5-4-12-20-14-16)24-18-10-8-15(9-11-18)13-21-22-17-6-2-1-3-7-17/h1-14,22H |
| InChIK | QIAKVFRGRRYOMQ-UHFFFAOYSA-N |
| TotalMolweight | 317.347 |
| Molweight | 317.347 |
| MonoisotopicMass | 317.116427 |
| CLogP | 5.2705 |
| CLogS | -3.824 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 255.51 |
| Relative PSA | 0.223 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 1.7213 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-(phenylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate | 2 - [4-[(Z)-(phenylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off