N-(3-cyano-1H-pyrrolo[3,2-b]quinoxalin-2-yl)furan-2-carboxamide
Formula:C16H9N5O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-(3-cyano-1H-pyrrolo[3,2-b]quinoxalin-2-yl)furan-2-carboxamide is a drug-like molecule.
| MolName | N-(3-cyano-1H-pyrrolo[3,2-b]quinoxalin-2-yl)furan-2-carboxamide |
| MolecularFormula | C16H9N5O2 |
| Smiles | N#Cc1c(NC(c2ccco2)=O)[nH]c2nc3ccccc3nc12 |
| InChI | InChI=1S/C16H9N5O2/c17-8-9-13-15(19-11-5-2-1-4-10(11)18-13)20-14(9)21-16(22)12-6-3-7-23-12/h1-7H,(H,19,20)(H,21,22) |
| InChIK | OPTVHVTYCPVLQR-UHFFFAOYSA-N |
| TotalMolweight | 303.28 |
| Molweight | 303.28 |
| MonoisotopicMass | 303.075625 |
| CLogP | 2.0652 |
| CLogS | -5.179 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 229.92 |
| Relative PSA | 0.38318 |
| PolarSurfaceArea | 107.6 |
| Druglikeness | -2.5119 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 18 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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