4-[(Z)-[[2-(2-phenylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
Formula:C22H18N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[[2-(2-phenylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(Z)-[[2-(2-phenylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C22H18N2O4 |
| Smiles | OC(c1ccc(/C=N\NC(COc(cccc2)c2-c2ccccc2)=O)cc1)=O |
| InChI | InChI=1S/C22H18N2O4/c25-21(24-23-14-16-10-12-18(13-11-16)22(26)27)15-28-20-9-5-4-8-19(20)17-6-2-1-3-7-17/h1-14H,15H2,(H,24,25)(H,26,27) |
| InChIK | ZTRJIIZRDMRKIE-UHFFFAOYSA-N |
| TotalMolweight | 374.395 |
| Molweight | 374.395 |
| MonoisotopicMass | 374.126658 |
| CLogP | 3.9208 |
| CLogS | -5.6 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 294.61 |
| Relative PSA | 0.2449 |
| PolarSurfaceArea | 87.99 |
| Druglikeness | 4.0197 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(Z)-[[2-(2-phenylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid | 2 - 4-[(Z)-[[2-(2-phenylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
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