2-[2-[(Z)-[(2-benzamidoacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C18H17N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-[(2-benzamidoacetyl)hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[2-[(Z)-[(2-benzamidoacetyl)hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C18H17N3O5 |
| Smiles | OC(COc1c(/C=N\NC(CNC(c2ccccc2)=O)=O)cccc1)=O |
| InChI | InChI=1S/C18H17N3O5/c22-16(11-19-18(25)13-6-2-1-3-7-13)21-20-10-14-8-4-5-9-15(14)26-12-17(23)24/h1-10H,11-12H2,(H,19,25)(H,21,22)(H,23,24) |
| InChIK | QTBOBEGGKQGYHW-UHFFFAOYSA-N |
| TotalMolweight | 355.349 |
| Molweight | 355.349 |
| MonoisotopicMass | 355.116822 |
| CLogP | 1.3453 |
| CLogS | -3.281 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 277.82 |
| Relative PSA | 0.34789 |
| PolarSurfaceArea | 117.09 |
| Druglikeness | 5.2568 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-[(2-benzamidoacetyl)hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[2-[(Z)-[(2-benzamidoacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
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