[4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate
Formula:C18H13N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate is a drug-like molecule.
| MolName | [4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate |
| MolecularFormula | C18H13N3O4 |
| Smiles | O=C(c1ccco1)Oc1ccc(/C=N\NC(c2cnccc2)=O)cc1 |
| InChI | InChI=1S/C18H13N3O4/c22-17(14-3-1-9-19-12-14)21-20-11-13-5-7-15(8-6-13)25-18(23)16-4-2-10-24-16/h1-12H,(H,21,22) |
| InChIK | ITLVRMAJOYWRDY-UHFFFAOYSA-N |
| TotalMolweight | 335.318 |
| Molweight | 335.318 |
| MonoisotopicMass | 335.090607 |
| CLogP | 2.8199 |
| CLogS | -4.078 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 262.95 |
| Relative PSA | 0.31995 |
| PolarSurfaceArea | 93.79 |
| Druglikeness | 4.2027 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate | 2 - [4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off