2-[2-[(Z)-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C18H16N4O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[2-[(Z)-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C18H16N4O4S |
| Smiles | OC(COc1c(/C=N\NC(CSc2nc(cccc3)c3[nH]2)=O)cccc1)=O |
| InChI | InChI=1S/C18H16N4O4S/c23-16(11-27-18-20-13-6-2-3-7-14(13)21-18)22-19-9-12-5-1-4-8-15(12)26-10-17(24)25/h1-9H,10-11H2,(H,20,21)(H,22,23)(H,24,25) |
| InChIK | XOXWWBLFCTYVQG-UHFFFAOYSA-N |
| TotalMolweight | 384.415 |
| Molweight | 384.415 |
| MonoisotopicMass | 384.089226 |
| CLogP | 2.1457 |
| CLogS | -4.036 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 289.03 |
| Relative PSA | 0.3965 |
| PolarSurfaceArea | 141.97 |
| Druglikeness | 4.8839 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 5 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[2-[(Z)-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
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