3-[[4-[(Z)-[(7-methoxy-1-benzofuran-2-carbonyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
Formula:C25H20N2O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[[4-[(Z)-[(7-methoxy-1-benzofuran-2-carbonyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid is a drug-like molecule.
| MolName | 3-[[4-[(Z)-[(7-methoxy-1-benzofuran-2-carbonyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid |
| MolecularFormula | C25H20N2O6 |
| Smiles | COc1cccc2c1oc(C(N/N=C\c(cc1)ccc1OCc1cccc(C(O)=O)c1)=O)c2 |
| InChI | InChI=1S/C25H20N2O6/c1-31-21-7-3-5-18-13-22(33-23(18)21)24(28)27-26-14-16-8-10-20(11-9-16)32-15-17-4-2-6-19(12-17)25(29)30/h2-14H,15H2,1H3,(H,27,28)(H,29,30) |
| InChIK | HVEDOGZROGGWME-UHFFFAOYSA-N |
| TotalMolweight | 444.442 |
| Molweight | 444.442 |
| MonoisotopicMass | 444.132138 |
| CLogP | 4.4704 |
| CLogS | -6.276 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 341.16 |
| Relative PSA | 0.28216 |
| PolarSurfaceArea | 110.36 |
| Druglikeness | 4.4604 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3-[[4-[(Z)-[(7-methoxy-1-benzofuran-2-carbonyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid | 2 - 3-[[4-[(Z)-[(7-methoxy-1-benzofuran-2-carbonyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
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