4-[(Z)-[(3-morpholin-4-ylsulfonylbenzoyl)hydrazinylidene]methyl]benzoic acid
Formula:C19H19N3O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[(3-morpholin-4-ylsulfonylbenzoyl)hydrazinylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(Z)-[(3-morpholin-4-ylsulfonylbenzoyl)hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C19H19N3O6S |
| Smiles | OC(c1ccc(/C=N\NC(c2cccc(S(N3CCOCC3)(=O)=O)c2)=O)cc1)=O |
| InChI | InChI=1S/C19H19N3O6S/c23-18(21-20-13-14-4-6-15(7-5-14)19(24)25)16-2-1-3-17(12-16)29(26,27)22-8-10-28-11-9-22/h1-7,12-13H,8-11H2,(H,21,23)(H,24,25) |
| InChIK | LVMQEYUSJOCIQC-UHFFFAOYSA-N |
| TotalMolweight | 417.441 |
| Molweight | 417.441 |
| MonoisotopicMass | 417.099457 |
| CLogP | 1.7295 |
| CLogS | -2.94 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 301.51 |
| Relative PSA | 0.34586 |
| PolarSurfaceArea | 133.75 |
| Druglikeness | -4.5855 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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