[4-[(Z)-(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate
Formula:C22H16N2O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate is a drug-like molecule.
| MolName | [4-[(Z)-(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate |
| MolecularFormula | C22H16N2O5S |
| Smiles | O=C(c1ccco1)Oc1ccc(/C=N\NS(c2cc3ccccc3cc2)(=O)=O)cc1 |
| InChI | InChI=1S/C22H16N2O5S/c25-22(21-6-3-13-28-21)29-19-10-7-16(8-11-19)15-23-24-30(26,27)20-12-9-17-4-1-2-5-18(17)14-20/h1-15,24H |
| InChIK | ZXJKRLCZPLFLED-UHFFFAOYSA-N |
| TotalMolweight | 420.444 |
| Molweight | 420.444 |
| MonoisotopicMass | 420.077993 |
| CLogP | 4.0907 |
| CLogS | -4.674 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 309.62 |
| Relative PSA | 0.28648 |
| PolarSurfaceArea | 106.35 |
| Druglikeness | 1.7996 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate | 2 - [4-[(Z)-(naphthalen-2-ylsulfonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off