(NZ)-N-[2-(furan-2-yl)-1-hydroxy-6,7-dihydro-5H-benzimidazol-4-ylidene]hydroxylamine
Formula:C11H11N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[2-(furan-2-yl)-1-hydroxy-6,7-dihydro-5H-benzimidazol-4-ylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[2-(furan-2-yl)-1-hydroxy-6,7-dihydro-5H-benzimidazol-4-ylidene]hydroxylamine |
| MolecularFormula | C11H11N3O3 |
| Smiles | On1c(-c2ccco2)nc2c1CCC/C2=N/O |
| InChI | InChI=1S/C11H11N3O3/c15-13-7-3-1-4-8-10(7)12-11(14(8)16)9-5-2-6-17-9/h2,5-6,15-16H,1,3-4H2 |
| InChIK | QWAAWWCVKPFVMZ-UHFFFAOYSA-N |
| TotalMolweight | 233.226 |
| Molweight | 233.226 |
| MonoisotopicMass | 233.080042 |
| CLogP | 1.5484 |
| CLogS | -6.006 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 174.12 |
| Relative PSA | 0.40007 |
| PolarSurfaceArea | 83.78 |
| Druglikeness | -1.9515 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 5 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (NZ)-N-[2-(furan-2-yl)-1-hydroxy-6,7-dihydro-5H-benzimidazol-4-ylidene]hydroxylamine | 2 - (NZ)-N-[2-(furan-2-yl)-1-hydroxy-6,7-dihydro-5H-benzimidazol-4-ylidene]hydroxylamine
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