(E)-N'-(3-nitrophenyl)-2-phenylethenesulfonohydrazide
Formula:C14H13N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N'-(3-nitrophenyl)-2-phenylethenesulfonohydrazide is a drug-like molecule.
| MolName | (E)-N'-(3-nitrophenyl)-2-phenylethenesulfonohydrazide |
| MolecularFormula | C14H13N3O4S |
| Smiles | [O-][N+](c1cccc(NNS(/C=C/c2ccccc2)(=O)=O)c1)=O |
| InChI | InChI=1S/C14H13N3O4S/c18-17(19)14-8-4-7-13(11-14)15-16-22(20,21)10-9-12-5-2-1-3-6-12/h1-11,15-16H |
| InChIK | GVWHPVMVRQZHHX-UHFFFAOYSA-N |
| TotalMolweight | 319.34 |
| Molweight | 319.34 |
| MonoisotopicMass | 319.062677 |
| CLogP | 1.9367 |
| CLogS | -2.823 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 234.69 |
| Relative PSA | 0.34906 |
| PolarSurfaceArea | 112.4 |
| Druglikeness | -5.056 |
| 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 | 2 |
| Symmetricatoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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