2-[(Z)-[(2,6-dichloropyridin-4-yl)carbamoylhydrazinylidene]methyl]benzoic acid
Formula:C14H10N4O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[(2,6-dichloropyridin-4-yl)carbamoylhydrazinylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 2-[(Z)-[(2,6-dichloropyridin-4-yl)carbamoylhydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C14H10N4O3Cl2 |
| Smiles | OC(c1c(/C=N\NC(Nc2cc(Cl)nc(Cl)c2)=O)cccc1)=O |
| InChI | InChI=1S/C14H10Cl2N4O3/c15-11-5-9(6-12(16)19-11)18-14(23)20-17-7-8-3-1-2-4-10(8)13(21)22/h1-7H,(H,21,22)(H2,18,19,20,23) |
| InChIK | YENAPSXTOUHRGL-UHFFFAOYSA-N |
| TotalMolweight | 353.164 |
| Molweight | 353.164 |
| MonoisotopicMass | 352.012995 |
| CLogP | 3.0865 |
| CLogS | -4.453 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 252.15 |
| Relative PSA | 0.33544 |
| PolarSurfaceArea | 103.68 |
| Druglikeness | 3.6216 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(Z)-[(2,6-dichloropyridin-4-yl)carbamoylhydrazinylidene]methyl]benzoic acid | 2 - 2-[(Z)-[(2,6-dichloropyridin-4-yl)carbamoylhydrazinylidene]methyl]benzoic acid
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