4-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-3-nitrobenzenesulfonamide
Formula:C17H14N4O4S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
4-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-3-nitrobenzenesulfonamide is a drug-like molecule.
| MolName | 4-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-3-nitrobenzenesulfonamide |
| MolecularFormula | C17H14N4O4S |
| Smiles | NS(c(cc1)cc([N+]([O-])=O)c1N/N=C\c1cccc2ccccc12)(=O)=O |
| InChI | InChI=1S/C17H14N4O4S/c18-26(24,25)14-8-9-16(17(10-14)21(22)23)20-19-11-13-6-3-5-12-4-1-2-7-15(12)13/h1-11,20H,(H2,18,24,25) |
| InChIK | WPJVHJKDUVNSNH-UHFFFAOYSA-N |
| TotalMolweight | 370.388 |
| Molweight | 370.388 |
| MonoisotopicMass | 370.073576 |
| CLogP | 3.8777 |
| CLogS | -5.114 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 264.61 |
| Relative PSA | 0.36748 |
| PolarSurfaceArea | 138.75 |
| Druglikeness | -4.7367 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-3-nitrobenzenesulfonamide | 2 - 4-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-3-nitrobenzenesulfonamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off