4-[(Z)-[[2-[(2-phenoxyacetyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid
Formula:C18H17N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[[2-[(2-phenoxyacetyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(Z)-[[2-[(2-phenoxyacetyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C18H17N3O5 |
| Smiles | OC(c1ccc(/C=N\NC(CNC(COc2ccccc2)=O)=O)cc1)=O |
| InChI | InChI=1S/C18H17N3O5/c22-16(11-19-17(23)12-26-15-4-2-1-3-5-15)21-20-10-13-6-8-14(9-7-13)18(24)25/h1-10H,11-12H2,(H,19,23)(H,21,22)(H,24,25) |
| InChIK | ZMCSSLLPKTZKRH-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 | 5.0824 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73077 |
| 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 | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(Z)-[[2-[(2-phenoxyacetyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid | 2 - 4-[(Z)-[[2-[(2-phenoxyacetyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid
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