4-chloro-2-[(Z)-[(3-morpholin-4-ylsulfonylbenzoyl)hydrazinylidene]methyl]-6-nitrophenolate
Formula:C18H16N4O7ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-chloro-2-[(Z)-[(3-morpholin-4-ylsulfonylbenzoyl)hydrazinylidene]methyl]-6-nitrophenolate is not a drug-like molecule.
| MolName | 4-chloro-2-[(Z)-[(3-morpholin-4-ylsulfonylbenzoyl)hydrazinylidene]methyl]-6-nitrophenolate |
| MolecularFormula | C18H16N4O7ClS |
| Smiles | [O-]c(c(/C=N\NC(c1cc(S(N2CCOCC2)(=O)=O)ccc1)=O)cc(Cl)c1)c1[N+]([O-])=O |
| InChI | InChI=1S/C18H17ClN4O7S/c19-14-8-13(17(24)16(10-14)23(26)27)11-20-21-18(25)12-2-1-3-15(9-12)31(28,29)22-4-6-30-7-5-22/h1-3,8-11,24H,4-7H2,(H,21,25)/p-1 |
| InChIK | WKFXTIQUEBIYES-UHFFFAOYSA-M |
| TotalMolweight | 467.865 |
| Molweight | 467.865 |
| MonoisotopicMass | 467.042823 |
| CLogP | 0.0051 |
| CLogS | -3.827 |
| H Acceptors | 11 |
| H Donors | 1 |
| TotalSurfaceArea | 324.03 |
| Relative PSA | 0.3791 |
| PolarSurfaceArea | 165.33 |
| Druglikeness | -4.7972 |
| 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 | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-chloro-2-[(Z)-[(3-morpholin-4-ylsulfonylbenzoyl)hydrazinylidene]methyl]-6-nitrophenolate | 2 - 4-chloro-2-[(Z)-[(3-morpholin-4-ylsulfonylbenzoyl)hydrazinylidene]methyl]-6-nitrophenolate
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