2-[2-[(Z)-[(3-morpholin-4-ylsulfonylbenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C20H21N3O7S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-[(3-morpholin-4-ylsulfonylbenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[2-[(Z)-[(3-morpholin-4-ylsulfonylbenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C20H21N3O7S |
| Smiles | OC(COc1c(/C=N\NC(c2cccc(S(N3CCOCC3)(=O)=O)c2)=O)cccc1)=O |
| InChI | InChI=1S/C20H21N3O7S/c24-19(25)14-30-18-7-2-1-4-16(18)13-21-22-20(26)15-5-3-6-17(12-15)31(27,28)23-8-10-29-11-9-23/h1-7,12-13H,8-11,14H2,(H,22,26)(H,24,25) |
| InChIK | SEJNRUOTIXKQLQ-UHFFFAOYSA-N |
| TotalMolweight | 447.467 |
| Molweight | 447.467 |
| MonoisotopicMass | 447.110022 |
| CLogP | 1.3044 |
| CLogS | -2.72 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 325.27 |
| Relative PSA | 0.35134 |
| PolarSurfaceArea | 142.98 |
| Druglikeness | 1.6111 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-[(3-morpholin-4-ylsulfonylbenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[2-[(Z)-[(3-morpholin-4-ylsulfonylbenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
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