3-nitro-4-[(2Z)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide
Formula:C20H18N4O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-nitro-4-[(2Z)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide is a drug-like molecule.
| MolName | 3-nitro-4-[(2Z)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide |
| MolecularFormula | C20H18N4O5S |
| Smiles | NS(c(cc1)cc([N+]([O-])=O)c1N/N=C\c1cc(OCc2ccccc2)ccc1)(=O)=O |
| InChI | InChI=1S/C20H18N4O5S/c21-30(27,28)18-9-10-19(20(12-18)24(25)26)23-22-13-16-7-4-8-17(11-16)29-14-15-5-2-1-3-6-15/h1-13,23H,14H2,(H2,21,27,28) |
| InChIK | MRERNKLTDUELPA-UHFFFAOYSA-N |
| TotalMolweight | 426.452 |
| Molweight | 426.452 |
| MonoisotopicMass | 426.099791 |
| CLogP | 4.0314 |
| CLogS | -4.849 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 313.53 |
| Relative PSA | 0.34204 |
| PolarSurfaceArea | 147.98 |
| Druglikeness | -9.8495 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-nitro-4-[(2Z)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide | 2 - 3-nitro-4-[(2Z)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off