4-[(2Z)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
Formula:C13H10N4O4Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2Z)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide is a drug-like molecule.
| MolName | 4-[(2Z)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide |
| MolecularFormula | C13H10N4O4Cl2S |
| Smiles | NS(c(cc1)cc([N+]([O-])=O)c1N/N=C\c1cccc(Cl)c1Cl)(=O)=O |
| InChI | InChI=1S/C13H10Cl2N4O4S/c14-10-3-1-2-8(13(10)15)7-17-18-11-5-4-9(24(16,22)23)6-12(11)19(20)21/h1-7,18H,(H2,16,22,23) |
| InChIK | UYAILWZABQKAAY-UHFFFAOYSA-N |
| TotalMolweight | 389.218 |
| Molweight | 389.218 |
| MonoisotopicMass | 387.97998 |
| CLogP | 3.8953 |
| CLogS | -4.98 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 260.85 |
| Relative PSA | 0.37278 |
| PolarSurfaceArea | 138.75 |
| Druglikeness | -4.0583 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-[(2Z)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide | 2 - 4-[(2Z)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off