N-[(Z)-[1-(4-hydroxyphenyl)pyrrol-2-yl]methylideneamino]furan-2-carboxamide
Formula:C16H13N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(4-hydroxyphenyl)pyrrol-2-yl]methylideneamino]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[1-(4-hydroxyphenyl)pyrrol-2-yl]methylideneamino]furan-2-carboxamide |
| MolecularFormula | C16H13N3O3 |
| Smiles | Oc(cc1)ccc1-n1c(/C=N\NC(c2ccco2)=O)ccc1 |
| InChI | InChI=1S/C16H13N3O3/c20-14-7-5-12(6-8-14)19-9-1-3-13(19)11-17-18-16(21)15-4-2-10-22-15/h1-11,20H,(H,18,21) |
| InChIK | GGPOFXLOHAWJPT-UHFFFAOYSA-N |
| TotalMolweight | 295.297 |
| Molweight | 295.297 |
| MonoisotopicMass | 295.095692 |
| CLogP | 2.2835 |
| CLogS | -5.444 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 231.99 |
| Relative PSA | 0.30213 |
| PolarSurfaceArea | 79.76 |
| Druglikeness | 5.1419 |
| 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 | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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