4-[(2Z)-2-[(1-benzylbenzimidazol-2-yl)methylidene]hydrazinyl]benzoic acid
Formula:C22H18N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2Z)-2-[(1-benzylbenzimidazol-2-yl)methylidene]hydrazinyl]benzoic acid is not a drug-like molecule.
| MolName | 4-[(2Z)-2-[(1-benzylbenzimidazol-2-yl)methylidene]hydrazinyl]benzoic acid |
| MolecularFormula | C22H18N4O2 |
| Smiles | OC(c(cc1)ccc1N/N=C\c1nc(cccc2)c2n1Cc1ccccc1)=O |
| InChI | InChI=1S/C22H18N4O2/c27-22(28)17-10-12-18(13-11-17)25-23-14-21-24-19-8-4-5-9-20(19)26(21)15-16-6-2-1-3-7-16/h1-14,25H,15H2,(H,27,28) |
| InChIK | XXMUGLFDRVLZQX-UHFFFAOYSA-N |
| TotalMolweight | 370.411 |
| Molweight | 370.411 |
| MonoisotopicMass | 370.142976 |
| CLogP | 5.135 |
| CLogS | -3.11 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 289.42 |
| Relative PSA | 0.23132 |
| PolarSurfaceArea | 79.51 |
| Druglikeness | 3.9525 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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