4-chloro-2-nitro-6-[(Z)-[(3-piperidin-1-ylsulfonylbenzoyl)hydrazinylidene]methyl]phenolate
Formula:C19H18N4O6ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-chloro-2-nitro-6-[(Z)-[(3-piperidin-1-ylsulfonylbenzoyl)hydrazinylidene]methyl]phenolate is a drug-like molecule.
| MolName | 4-chloro-2-nitro-6-[(Z)-[(3-piperidin-1-ylsulfonylbenzoyl)hydrazinylidene]methyl]phenolate |
| MolecularFormula | C19H18N4O6ClS |
| Smiles | [O-]c(c(/C=N\NC(c1cc(S(N2CCCCC2)(=O)=O)ccc1)=O)cc(Cl)c1)c1[N+]([O-])=O |
| InChI | InChI=1S/C19H19ClN4O6S/c20-15-9-14(18(25)17(11-15)24(27)28)12-21-22-19(26)13-5-4-6-16(10-13)31(29,30)23-7-2-1-3-8-23/h4-6,9-12,25H,1-3,7-8H2,(H,22,26)/p-1 |
| InChIK | FDCSDBJSHIQDQN-UHFFFAOYSA-M |
| TotalMolweight | 465.893 |
| Molweight | 465.893 |
| MonoisotopicMass | 465.063558 |
| CLogP | 1.1691 |
| CLogS | -4.716 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 327.79 |
| Relative PSA | 0.34424 |
| PolarSurfaceArea | 156.1 |
| Druglikeness | -5.9241 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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