3-nitro-4-[(2Z)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinyl]-N-phenylbenzenesulfonamide
Formula:C21H17N5O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-nitro-4-[(2Z)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinyl]-N-phenylbenzenesulfonamide is not a drug-like molecule.
| MolName | 3-nitro-4-[(2Z)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]hydrazinyl]-N-phenylbenzenesulfonamide |
| MolecularFormula | C21H17N5O6S |
| Smiles | [O-][N+](c1c(/C=C/C=N\Nc(ccc(S(Nc2ccccc2)(=O)=O)c2)c2[N+]([O-])=O)cccc1)=O |
| InChI | InChI=1S/C21H17N5O6S/c27-25(28)20-11-5-4-7-16(20)8-6-14-22-23-19-13-12-18(15-21(19)26(29)30)33(31,32)24-17-9-2-1-3-10-17/h1-15,23-24H |
| InChIK | QGCXJCXRONRVCG-UHFFFAOYSA-N |
| TotalMolweight | 467.461 |
| Molweight | 467.461 |
| MonoisotopicMass | 467.089955 |
| CLogP | 3.3151 |
| CLogS | -5.694 |
| H Acceptors | 11 |
| H Donors | 2 |
| TotalSurfaceArea | 342.88 |
| Relative PSA | 0.36121 |
| PolarSurfaceArea | 170.58 |
| Druglikeness | -6.295 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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