N-[(2E)-2-(furan-2-ylmethylidene)cyclopentylidene]hydroxylamine
Formula:C10H11NO2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(2E)-2-(furan-2-ylmethylidene)cyclopentylidene]hydroxylamine is a drug-like molecule.
| MolName | N-[(2E)-2-(furan-2-ylmethylidene)cyclopentylidene]hydroxylamine |
| MolecularFormula | C10H11NO2 |
| Smiles | ON=C(CCC1)/C1=C/c1ccco1 |
| InChI | InChI=1S/C10H11NO2/c12-11-10-5-1-3-8(10)7-9-4-2-6-13-9/h2,4,6-7,12H,1,3,5H2 |
| InChIK | UGOKDRQCTOLNPS-UHFFFAOYSA-N |
| TotalMolweight | 177.202 |
| Molweight | 177.202 |
| MonoisotopicMass | 177.078979 |
| CLogP | 2.5589 |
| CLogS | -2.983 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 144.76 |
| Relative PSA | 0.26748 |
| PolarSurfaceArea | 45.73 |
| Druglikeness | -3.0815 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 4 |
| StereoCon |
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