4-[(Z)-[[3-oxo-3-(2-phenylethylamino)propanoyl]hydrazinylidene]methyl]benzoic acid
Formula:C19H19N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[[3-oxo-3-(2-phenylethylamino)propanoyl]hydrazinylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(Z)-[[3-oxo-3-(2-phenylethylamino)propanoyl]hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C19H19N3O4 |
| Smiles | OC(c1ccc(/C=N\NC(CC(NCCc2ccccc2)=O)=O)cc1)=O |
| InChI | InChI=1S/C19H19N3O4/c23-17(20-11-10-14-4-2-1-3-5-14)12-18(24)22-21-13-15-6-8-16(9-7-15)19(25)26/h1-9,13H,10-12H2,(H,20,23)(H,22,24)(H,25,26) |
| InChIK | QZZSTTVPXNZTEB-UHFFFAOYSA-N |
| TotalMolweight | 353.377 |
| Molweight | 353.377 |
| MonoisotopicMass | 353.137557 |
| CLogP | 2.2229 |
| CLogS | -3.736 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 281.58 |
| Relative PSA | 0.30773 |
| PolarSurfaceArea | 107.86 |
| Druglikeness | 2.3629 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73077 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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