2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]pyridine-3-carboxylic acid
Formula:C13H10N3O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]pyridine-3-carboxylic acid is a drug-like molecule.
| MolName | 2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]pyridine-3-carboxylic acid |
| MolecularFormula | C13H10N3O2F |
| Smiles | OC(c1cccnc1N/N=C\c(cc1)ccc1F)=O |
| InChI | InChI=1S/C13H10FN3O2/c14-10-5-3-9(4-6-10)8-16-17-12-11(13(18)19)2-1-7-15-12/h1-8H,(H,15,17)(H,18,19) |
| InChIK | PKGLCLSBRPWJCT-UHFFFAOYSA-N |
| TotalMolweight | 259.239 |
| Molweight | 259.239 |
| MonoisotopicMass | 259.075705 |
| CLogP | 3.7773 |
| CLogS | -3.206 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 198.45 |
| Relative PSA | 0.30275 |
| PolarSurfaceArea | 74.58 |
| Druglikeness | 0.52098 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]pyridine-3-carboxylic acid | 2 - 2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]pyridine-3-carboxylic acid
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