2-[2-[(E)-[[2-(benzimidazol-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C18H16N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(E)-[[2-(benzimidazol-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[2-[(E)-[[2-(benzimidazol-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C18H16N4O4 |
| Smiles | OC(COc1c(/C=N/NC(Cn2c(cccc3)c3nc2)=O)cccc1)=O |
| InChI | InChI=1S/C18H16N4O4/c23-17(10-22-12-19-14-6-2-3-7-15(14)22)21-20-9-13-5-1-4-8-16(13)26-11-18(24)25/h1-9,12H,10-11H2,(H,21,23)(H,24,25) |
| InChIK | SYYXAWRBGGVRCB-UHFFFAOYSA-N |
| TotalMolweight | 352.349 |
| Molweight | 352.349 |
| MonoisotopicMass | 352.117156 |
| CLogP | 1.3182 |
| CLogS | -2.855 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 271.17 |
| Relative PSA | 0.33186 |
| PolarSurfaceArea | 105.81 |
| Druglikeness | 6.1285 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(E)-[[2-(benzimidazol-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[2-[(E)-[[2-(benzimidazol-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
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