[1-[(Z)-(phenylhydrazinylidene)methyl]naphthalen-2-yl] 4-nitrobenzenesulfonate
Formula:C23H17N3O5S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-(phenylhydrazinylidene)methyl]naphthalen-2-yl] 4-nitrobenzenesulfonate is not a drug-like molecule.
| MolName | [1-[(Z)-(phenylhydrazinylidene)methyl]naphthalen-2-yl] 4-nitrobenzenesulfonate |
| MolecularFormula | C23H17N3O5S |
| Smiles | [O-][N+](c(cc1)ccc1S(Oc1c(/C=N\Nc2ccccc2)c2ccccc2cc1)(=O)=O)=O |
| InChI | InChI=1S/C23H17N3O5S/c27-26(28)19-11-13-20(14-12-19)32(29,30)31-23-15-10-17-6-4-5-9-21(17)22(23)16-24-25-18-7-2-1-3-8-18/h1-16,25H |
| InChIK | UXFHEDDANZZMRB-UHFFFAOYSA-N |
| TotalMolweight | 447.47 |
| Molweight | 447.47 |
| MonoisotopicMass | 447.088892 |
| CLogP | 5.9926 |
| CLogS | -5.989 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 325.85 |
| Relative PSA | 0.28225 |
| PolarSurfaceArea | 121.96 |
| Druglikeness | -10.337 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [1-[(Z)-(phenylhydrazinylidene)methyl]naphthalen-2-yl] 4-nitrobenzenesulfonate | 2 - [1-[(Z)-(phenylhydrazinylidene)methyl]naphthalen-2-yl] 4-nitrobenzenesulfonate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off