[3-[(Z)-[[2-(1,3-benzodioxole-5-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
Formula:C22H17N3O7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-[(Z)-[[2-(1,3-benzodioxole-5-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate is a drug-like molecule.
| MolName | [3-[(Z)-[[2-(1,3-benzodioxole-5-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate |
| MolecularFormula | C22H17N3O7 |
| Smiles | O=C(CNC(c(cc1)cc2c1OCO2)=O)N/N=C\c1cc(OC(c2ccco2)=O)ccc1 |
| InChI | InChI=1S/C22H17N3O7/c26-20(12-23-21(27)15-6-7-17-19(10-15)31-13-30-17)25-24-11-14-3-1-4-16(9-14)32-22(28)18-5-2-8-29-18/h1-11H,12-13H2,(H,23,27)(H,25,26) |
| InChIK | XLGLGHHHFAWRHZ-UHFFFAOYSA-N |
| TotalMolweight | 435.391 |
| Molweight | 435.391 |
| MonoisotopicMass | 435.106652 |
| CLogP | 3.0159 |
| CLogS | -5.351 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 327.42 |
| Relative PSA | 0.35935 |
| PolarSurfaceArea | 128.46 |
| Druglikeness | 5.3089 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - [3-[(Z)-[[2-(1,3-benzodioxole-5-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate | 2 - [3-[(Z)-[[2-(1,3-benzodioxole-5-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
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