[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]urea
Formula:C13H16N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]urea is a drug-like molecule.
| MolName | [(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]urea |
| MolecularFormula | C13H16N4O2 |
| Smiles | Cc1cc(/C=N\NC(N)=O)c(C)n1Cc1ccco1 |
| InChI | InChI=1S/C13H16N4O2/c1-9-6-11(7-15-16-13(14)18)10(2)17(9)8-12-4-3-5-19-12/h3-7H,8H2,1-2H3,(H3,14,16,18) |
| InChIK | IEBJMUHFWYCFOW-UHFFFAOYSA-N |
| TotalMolweight | 260.296 |
| Molweight | 260.296 |
| MonoisotopicMass | 260.127326 |
| CLogP | 1.3326 |
| CLogS | -2.709 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 212.68 |
| Relative PSA | 0.33976 |
| PolarSurfaceArea | 85.55 |
| Druglikeness | 5.9906 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]urea | 2 - [(Z)-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]urea
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