4-bromo-N'-[1-(3-nitrophenyl)ethenyl]benzenesulfonohydrazide
Formula:C14H12N3O4BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N'-[1-(3-nitrophenyl)ethenyl]benzenesulfonohydrazide is a drug-like molecule.
| MolName | 4-bromo-N'-[1-(3-nitrophenyl)ethenyl]benzenesulfonohydrazide |
| MolecularFormula | C14H12N3O4BrS |
| Smiles | C=C(c1cc([N+]([O-])=O)ccc1)NNS(c(cc1)ccc1Br)(=O)=O |
| InChI | InChI=1S/C14H12BrN3O4S/c1-10(11-3-2-4-13(9-11)18(19)20)16-17-23(21,22)14-7-5-12(15)6-8-14/h2-9,16-17H,1H2 |
| InChIK | LXZPOWCJGOXXJJ-UHFFFAOYSA-N |
| TotalMolweight | 398.236 |
| Molweight | 398.236 |
| MonoisotopicMass | 396.973188 |
| CLogP | 1.0094 |
| CLogS | -3.124 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 249.57 |
| Relative PSA | 0.32824 |
| PolarSurfaceArea | 112.4 |
| Druglikeness | -7.9475 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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