4-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]benzenesulfonic acid
Formula:C17H14N2O3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]benzenesulfonic acid is a drug-like molecule.
| MolName | 4-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]benzenesulfonic acid |
| MolecularFormula | C17H14N2O3S |
| Smiles | OS(c(cc1)ccc1N/N=C\c1cccc2ccccc12)(=O)=O |
| InChI | InChI=1S/C17H14N2O3S/c20-23(21,22)16-10-8-15(9-11-16)19-18-12-14-6-3-5-13-4-1-2-7-17(13)14/h1-12,19H,(H,20,21,22) |
| InChIK | KPGBZCBUMRGMEG-UHFFFAOYSA-N |
| TotalMolweight | 326.375 |
| Molweight | 326.375 |
| MonoisotopicMass | 326.072513 |
| CLogP | 3.806 |
| CLogS | -3.361 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 238.77 |
| Relative PSA | 0.27076 |
| PolarSurfaceArea | 87.14 |
| Druglikeness | 0.49899 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]benzenesulfonic acid | 2 - 4-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]benzenesulfonic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off