4-[(2Z)-2-[(3-bromophenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
Formula:C13H11N4O4BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2Z)-2-[(3-bromophenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide is a drug-like molecule.
| MolName | 4-[(2Z)-2-[(3-bromophenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide |
| MolecularFormula | C13H11N4O4BrS |
| Smiles | NS(c(cc1)cc([N+]([O-])=O)c1N/N=C\c1cccc(Br)c1)(=O)=O |
| InChI | InChI=1S/C13H11BrN4O4S/c14-10-3-1-2-9(6-10)8-16-17-12-5-4-11(23(15,21)22)7-13(12)18(19)20/h1-8,17H,(H2,15,21,22) |
| InChIK | LXISMFWZVNFHNL-UHFFFAOYSA-N |
| TotalMolweight | 399.224 |
| Molweight | 399.224 |
| MonoisotopicMass | 397.968437 |
| CLogP | 3.4085 |
| CLogS | -4.342 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 248.64 |
| Relative PSA | 0.39109 |
| PolarSurfaceArea | 138.75 |
| Druglikeness | -7.6355 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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