4-[5-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzoic acid
Formula:C19H14N4O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-[5-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzoic acid is not a drug-like molecule.
| MolName | 4-[5-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzoic acid |
| MolecularFormula | C19H14N4O3 |
| Smiles | OC(c(cc1)ccc1-c1ccc(/C=N\Nc2nc(cccc3)c3[nH]2)o1)=O |
| InChI | InChI=1S/C19H14N4O3/c24-18(25)13-7-5-12(6-8-13)17-10-9-14(26-17)11-20-23-19-21-15-3-1-2-4-16(15)22-19/h1-11H,(H,24,25)(H2,21,22,23) |
| InChIK | GRCYZXLKHHDGDH-UHFFFAOYSA-N |
| TotalMolweight | 346.345 |
| Molweight | 346.345 |
| MonoisotopicMass | 346.106591 |
| CLogP | 5.0636 |
| CLogS | -5.104 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 265.72 |
| Relative PSA | 0.33185 |
| PolarSurfaceArea | 103.51 |
| Druglikeness | 4.9917 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-[5-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzoic acid | 2 - 4-[5-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]furan-2-yl]benzoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off