2-[(2Z)-2-[phenyl(pyridin-4-yl)methylidene]hydrazinyl]benzoic acid
Formula:C19H15N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2Z)-2-[phenyl(pyridin-4-yl)methylidene]hydrazinyl]benzoic acid is a drug-like molecule.
| MolName | 2-[(2Z)-2-[phenyl(pyridin-4-yl)methylidene]hydrazinyl]benzoic acid |
| MolecularFormula | C19H15N3O2 |
| Smiles | OC(c(cccc1)c1N/N=C(/c1ccccc1)\c1ccncc1)=O |
| InChI | InChI=1S/C19H15N3O2/c23-19(24)16-8-4-5-9-17(16)21-22-18(14-6-2-1-3-7-14)15-10-12-20-13-11-15/h1-13,21H,(H,23,24) |
| InChIK | OFAFTBUBAMAJLS-UHFFFAOYSA-N |
| TotalMolweight | 317.347 |
| Molweight | 317.347 |
| MonoisotopicMass | 317.116427 |
| CLogP | 4.5218 |
| CLogS | -4.143 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 250.07 |
| Relative PSA | 0.24025 |
| PolarSurfaceArea | 74.58 |
| Druglikeness | 0.98543 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(2Z)-2-[phenyl(pyridin-4-yl)methylidene]hydrazinyl]benzoic acid | 2 - 2-[(2Z)-2-[phenyl(pyridin-4-yl)methylidene]hydrazinyl]benzoic acid
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