[2-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenyl] benzenesulfonate
Formula:C19H15N3O5S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
[2-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenyl] benzenesulfonate is a drug-like molecule.
| MolName | [2-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenyl] benzenesulfonate |
| MolecularFormula | C19H15N3O5S |
| Smiles | [O-][N+](c(cc1)ccc1N/N=C\c(cccc1)c1OS(c1ccccc1)(=O)=O)=O |
| InChI | InChI=1S/C19H15N3O5S/c23-22(24)17-12-10-16(11-13-17)21-20-14-15-6-4-5-9-19(15)27-28(25,26)18-7-2-1-3-8-18/h1-14,21H |
| InChIK | KGYVKNFUZXNVIS-UHFFFAOYSA-N |
| TotalMolweight | 397.41 |
| Molweight | 397.41 |
| MonoisotopicMass | 397.073242 |
| CLogP | 4.7982 |
| CLogS | -4.383 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 291.25 |
| Relative PSA | 0.31578 |
| PolarSurfaceArea | 121.96 |
| Druglikeness | -14.4 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| AcidicOxygens | 1 |
| StereoCon |
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