4-[(Z)-[(2-oxo-2-pyrrolidin-1-ylacetyl)hydrazinylidene]methyl]benzoic acid
Formula:C14H15N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[(2-oxo-2-pyrrolidin-1-ylacetyl)hydrazinylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(Z)-[(2-oxo-2-pyrrolidin-1-ylacetyl)hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C14H15N3O4 |
| Smiles | OC(c1ccc(/C=N\NC(C(N2CCCC2)=O)=O)cc1)=O |
| InChI | InChI=1S/C14H15N3O4/c18-12(13(19)17-7-1-2-8-17)16-15-9-10-3-5-11(6-4-10)14(20)21/h3-6,9H,1-2,7-8H2,(H,16,18)(H,20,21) |
| InChIK | QLPRFLJFEZHJGQ-UHFFFAOYSA-N |
| TotalMolweight | 289.29 |
| Molweight | 289.29 |
| MonoisotopicMass | 289.106257 |
| CLogP | 0.9778 |
| CLogS | -2.355 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 220.92 |
| Relative PSA | 0.35642 |
| PolarSurfaceArea | 99.07 |
| Druglikeness | 5.3032 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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