4-[(2Z)-2-[phenyl(pyridin-2-yl)methylidene]hydrazinyl]benzoic acid
Formula:C19H15N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2Z)-2-[phenyl(pyridin-2-yl)methylidene]hydrazinyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(2Z)-2-[phenyl(pyridin-2-yl)methylidene]hydrazinyl]benzoic acid |
| MolecularFormula | C19H15N3O2 |
| Smiles | OC(c(cc1)ccc1N/N=C(/c1ccccc1)\c1ncccc1)=O |
| InChI | InChI=1S/C19H15N3O2/c23-19(24)15-9-11-16(12-10-15)21-22-18(14-6-2-1-3-7-14)17-8-4-5-13-20-17/h1-13,21H,(H,23,24) |
| InChIK | KQRJATXGBQAEAH-UHFFFAOYSA-N |
| TotalMolweight | 317.347 |
| Molweight | 317.347 |
| MonoisotopicMass | 317.116427 |
| CLogP | 4.5758 |
| CLogS | -4.167 |
| 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 | 0.54167 |
| 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 |
Click to Load Molecule:
1 - 4-[(2Z)-2-[phenyl(pyridin-2-yl)methylidene]hydrazinyl]benzoic acid | 2 - 4-[(2Z)-2-[phenyl(pyridin-2-yl)methylidene]hydrazinyl]benzoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off