4-[(Z)-[[2-(2-pyridin-2-ylbenzimidazol-1-yl)acetyl]hydrazinylidene]methyl]benzoic acid
Formula:C22H17N5O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[[2-(2-pyridin-2-ylbenzimidazol-1-yl)acetyl]hydrazinylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(Z)-[[2-(2-pyridin-2-ylbenzimidazol-1-yl)acetyl]hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C22H17N5O3 |
| Smiles | OC(c1ccc(/C=N\NC(Cn2c(-c3ncccc3)nc3c2cccc3)=O)cc1)=O |
| InChI | InChI=1S/C22H17N5O3/c28-20(26-24-13-15-8-10-16(11-9-15)22(29)30)14-27-19-7-2-1-5-17(19)25-21(27)18-6-3-4-12-23-18/h1-13H,14H2,(H,26,28)(H,29,30) |
| InChIK | WNNQLSZZWGNCET-UHFFFAOYSA-N |
| TotalMolweight | 399.409 |
| Molweight | 399.409 |
| MonoisotopicMass | 399.13314 |
| CLogP | 2.4764 |
| CLogS | -4.117 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 305.93 |
| Relative PSA | 0.29732 |
| PolarSurfaceArea | 109.47 |
| Druglikeness | 5.8367 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-[(Z)-[[2-(2-pyridin-2-ylbenzimidazol-1-yl)acetyl]hydrazinylidene]methyl]benzoic acid | 2 - 4-[(Z)-[[2-(2-pyridin-2-ylbenzimidazol-1-yl)acetyl]hydrazinylidene]methyl]benzoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off