2-amino-5-(furan-2-yl)-1-[(Z)-furan-2-ylmethylideneamino]pyrrole-3,4-dicarbonitrile
Formula:C15H9N5O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
2-amino-5-(furan-2-yl)-1-[(Z)-furan-2-ylmethylideneamino]pyrrole-3,4-dicarbonitrile is a drug-like molecule.
| MolName | 2-amino-5-(furan-2-yl)-1-[(Z)-furan-2-ylmethylideneamino]pyrrole-3,4-dicarbonitrile |
| MolecularFormula | C15H9N5O2 |
| Smiles | Nc(n(c(-c1ccco1)c1C#N)/N=C\c2ccco2)c1C#N |
| InChI | InChI=1S/C15H9N5O2/c16-7-11-12(8-17)15(18)20(14(11)13-4-2-6-22-13)19-9-10-3-1-5-21-10/h1-6,9H,18H2 |
| InChIK | XNIVBTJMWLISEX-UHFFFAOYSA-N |
| TotalMolweight | 291.269 |
| Molweight | 291.269 |
| MonoisotopicMass | 291.075625 |
| CLogP | 1.6908 |
| CLogS | -7.341 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 238.06 |
| Relative PSA | 0.37381 |
| PolarSurfaceArea | 117.17 |
| Druglikeness | -0.68824 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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