N'-[1-(4-nitrophenyl)ethenyl]benzenesulfonohydrazide
Formula:C14H13N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[1-(4-nitrophenyl)ethenyl]benzenesulfonohydrazide is a drug-like molecule.
| MolName | N'-[1-(4-nitrophenyl)ethenyl]benzenesulfonohydrazide |
| MolecularFormula | C14H13N3O4S |
| Smiles | C=C(c(cc1)ccc1[N+]([O-])=O)NNS(c1ccccc1)(=O)=O |
| InChI | InChI=1S/C14H13N3O4S/c1-11(12-7-9-13(10-8-12)17(18)19)15-16-22(20,21)14-5-3-2-4-6-14/h2-10,15-16H,1H2 |
| InChIK | PFLZPEKGVOJXDS-UHFFFAOYSA-N |
| TotalMolweight | 319.34 |
| Molweight | 319.34 |
| MonoisotopicMass | 319.062677 |
| CLogP | 0.2842 |
| CLogS | -2.29 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 230.94 |
| Relative PSA | 0.35472 |
| PolarSurfaceArea | 112.4 |
| Druglikeness | -18.753 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| AcidicOxygens | 1 |
| StereoCon |
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