3-nitro-4-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]benzenesulfonamide
Formula:C15H14N4O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-nitro-4-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]benzenesulfonamide is a drug-like molecule.
| MolName | 3-nitro-4-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]benzenesulfonamide |
| MolecularFormula | C15H14N4O4S |
| Smiles | NS(c(cc1)cc([N+]([O-])=O)c1N/N=C\C=C\c1ccccc1)(=O)=O |
| InChI | InChI=1S/C15H14N4O4S/c16-24(22,23)13-8-9-14(15(11-13)19(20)21)18-17-10-4-7-12-5-2-1-3-6-12/h1-11,18H,(H2,16,22,23) |
| InChIK | LWOBOIZOAGOTCI-UHFFFAOYSA-N |
| TotalMolweight | 346.366 |
| Molweight | 346.366 |
| MonoisotopicMass | 346.073576 |
| CLogP | 2.7016 |
| CLogS | -3.8 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 256.51 |
| Relative PSA | 0.37909 |
| PolarSurfaceArea | 138.75 |
| Druglikeness | -5.471 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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