2-[(Z)-[[2-(4-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
Formula:C16H12N3O4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[[2-(4-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 2-[(Z)-[[2-(4-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C16H12N3O4F |
| Smiles | OC(c1c(/C=N\NC(C(Nc(cc2)ccc2F)=O)=O)cccc1)=O |
| InChI | InChI=1S/C16H12FN3O4/c17-11-5-7-12(8-6-11)19-14(21)15(22)20-18-9-10-3-1-2-4-13(10)16(23)24/h1-9H,(H,19,21)(H,20,22)(H,23,24) |
| InChIK | STABWBXYYRNUQE-UHFFFAOYSA-N |
| TotalMolweight | 329.286 |
| Molweight | 329.286 |
| MonoisotopicMass | 329.081185 |
| CLogP | 1.7298 |
| CLogS | -3.852 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 246.65 |
| Relative PSA | 0.35131 |
| PolarSurfaceArea | 107.86 |
| Druglikeness | 2.1691 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(Z)-[[2-(4-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid | 2 - 2-[(Z)-[[2-(4-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
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