4-[(E)-(pyrazine-2-carbonylhydrazinylidene)methyl]benzoic acid
Formula:C13H10N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(E)-(pyrazine-2-carbonylhydrazinylidene)methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(E)-(pyrazine-2-carbonylhydrazinylidene)methyl]benzoic acid |
| MolecularFormula | C13H10N4O3 |
| Smiles | OC(c1ccc(/C=N/NC(c2nccnc2)=O)cc1)=O |
| InChI | InChI=1S/C13H10N4O3/c18-12(11-8-14-5-6-15-11)17-16-7-9-1-3-10(4-2-9)13(19)20/h1-8H,(H,17,18)(H,19,20) |
| InChIK | DYKKGAYYRDYJFE-UHFFFAOYSA-N |
| TotalMolweight | 270.247 |
| Molweight | 270.247 |
| MonoisotopicMass | 270.075291 |
| CLogP | 0.7389 |
| CLogS | -2.168 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 208.61 |
| Relative PSA | 0.4031 |
| PolarSurfaceArea | 104.54 |
| Druglikeness | 4.1625 |
| 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 | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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