4-[(Z)-[[2-[(2-naphthalen-2-yloxyacetyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid
Formula:C22H19N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[[2-[(2-naphthalen-2-yloxyacetyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(Z)-[[2-[(2-naphthalen-2-yloxyacetyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C22H19N3O5 |
| Smiles | OC(c1ccc(/C=N\NC(CNC(COc2cc3ccccc3cc2)=O)=O)cc1)=O |
| InChI | InChI=1S/C22H19N3O5/c26-20(25-24-12-15-5-7-17(8-6-15)22(28)29)13-23-21(27)14-30-19-10-9-16-3-1-2-4-18(16)11-19/h1-12H,13-14H2,(H,23,27)(H,25,26)(H,28,29) |
| InChIK | JVLWVEKPMDIZSU-UHFFFAOYSA-N |
| TotalMolweight | 405.409 |
| Molweight | 405.409 |
| MonoisotopicMass | 405.132472 |
| CLogP | 2.5397 |
| CLogS | -4.887 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 312.42 |
| Relative PSA | 0.30936 |
| PolarSurfaceArea | 117.09 |
| Druglikeness | 5.0824 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(Z)-[[2-[(2-naphthalen-2-yloxyacetyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid | 2 - 4-[(Z)-[[2-[(2-naphthalen-2-yloxyacetyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid
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