4-[(Z)-[[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetyl]hydrazinylidene]methyl]benzoic acid
Formula:C24H19N4O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetyl]hydrazinylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(Z)-[[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetyl]hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C24H19N4O3ClS |
| Smiles | OC(c1ccc(/C=N\NC(CSc2nc(cccc3)c3n2Cc(cccc2)c2Cl)=O)cc1)=O |
| InChI | InChI=1S/C24H19ClN4O3S/c25-19-6-2-1-5-18(19)14-29-21-8-4-3-7-20(21)27-24(29)33-15-22(30)28-26-13-16-9-11-17(12-10-16)23(31)32/h1-13H,14-15H2,(H,28,30)(H,31,32) |
| InChIK | UJOJBGMOQOVTGP-UHFFFAOYSA-N |
| TotalMolweight | 478.959 |
| Molweight | 478.959 |
| MonoisotopicMass | 478.086638 |
| CLogP | 4.6671 |
| CLogS | -5.445 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 353.84 |
| Relative PSA | 0.27549 |
| PolarSurfaceArea | 121.88 |
| Druglikeness | 6.081 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(Z)-[[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetyl]hydrazinylidene]methyl]benzoic acid | 2 - 4-[(Z)-[[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetyl]hydrazinylidene]methyl]benzoic acid
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