6-chloro-2-[(2Z)-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]pyridine-3-carboxylic acid
Formula:C13H5N3O2ClF5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-chloro-2-[(2Z)-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]pyridine-3-carboxylic acid is a drug-like molecule.
| MolName | 6-chloro-2-[(2Z)-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]pyridine-3-carboxylic acid |
| MolecularFormula | C13H5N3O2ClF5 |
| Smiles | OC(c(cc1)c(N/N=C\c(c(F)c(c(F)c2F)F)c2F)nc1Cl)=O |
| InChI | InChI=1S/C13H5ClF5N3O2/c14-6-2-1-4(13(23)24)12(21-6)22-20-3-5-7(15)9(17)11(19)10(18)8(5)16/h1-3H,(H,21,22)(H,23,24) |
| InChIK | NMUKJXRTJVVXPW-UHFFFAOYSA-N |
| TotalMolweight | 365.645 |
| Molweight | 365.645 |
| MonoisotopicMass | 364.999044 |
| CLogP | 4.8839 |
| CLogS | -4.961 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 239.27 |
| Relative PSA | 0.2511 |
| PolarSurfaceArea | 74.58 |
| Druglikeness | 0.56833 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 6-chloro-2-[(2Z)-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]pyridine-3-carboxylic acid | 2 - 6-chloro-2-[(2Z)-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]pyridine-3-carboxylic acid
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