4-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzoic acid
Formula:C15H12N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzoic acid |
| MolecularFormula | C15H12N4O2 |
| Smiles | OC(c1ccc(/C=N\Nc2nc(cccc3)c3[nH]2)cc1)=O |
| InChI | InChI=1S/C15H12N4O2/c20-14(21)11-7-5-10(6-8-11)9-16-19-15-17-12-3-1-2-4-13(12)18-15/h1-9H,(H,20,21)(H2,17,18,19) |
| InChIK | FRDPRSVGUKUCQI-UHFFFAOYSA-N |
| TotalMolweight | 280.286 |
| Molweight | 280.286 |
| MonoisotopicMass | 280.096026 |
| CLogP | 4.1247 |
| CLogS | -3.644 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 216.27 |
| Relative PSA | 0.34249 |
| PolarSurfaceArea | 90.37 |
| Druglikeness | 2.8081 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzoic acid | 2 - 4-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off