4-nitro-2-[(Z)-[(4-piperidin-1-ylsulfonylbenzoyl)hydrazinylidene]methyl]phenolate
Formula:C19H19N4O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-nitro-2-[(Z)-[(4-piperidin-1-ylsulfonylbenzoyl)hydrazinylidene]methyl]phenolate is a drug-like molecule.
| MolName | 4-nitro-2-[(Z)-[(4-piperidin-1-ylsulfonylbenzoyl)hydrazinylidene]methyl]phenolate |
| MolecularFormula | C19H19N4O6S |
| Smiles | [O-]c(cc1)c(/C=N\NC(c(cc2)ccc2S(N2CCCCC2)(=O)=O)=O)cc1[N+]([O-])=O |
| InChI | InChI=1S/C19H20N4O6S/c24-18-9-6-16(23(26)27)12-15(18)13-20-21-19(25)14-4-7-17(8-5-14)30(28,29)22-10-2-1-3-11-22/h4-9,12-13,24H,1-3,10-11H2,(H,21,25)/p-1 |
| InChIK | CXJIDPCTAKELFV-UHFFFAOYSA-M |
| TotalMolweight | 431.448 |
| Molweight | 431.448 |
| MonoisotopicMass | 431.102531 |
| CLogP | 0.5631 |
| CLogS | -3.98 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 312.37 |
| Relative PSA | 0.36124 |
| PolarSurfaceArea | 156.1 |
| Druglikeness | -1.9588 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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