(NZ)-N-[2-(1,3-benzoxazol-2-ylsulfanyl)cyclopentylidene]hydroxylamine
Formula:C12H12N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[2-(1,3-benzoxazol-2-ylsulfanyl)cyclopentylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[2-(1,3-benzoxazol-2-ylsulfanyl)cyclopentylidene]hydroxylamine |
| MolecularFormula | C12H12N2O2S |
| Smiles | O/N=C(/CCC1)\C1Sc1nc(cccc2)c2o1 |
| InChI | InChI=1S/C12H12N2O2S/c15-14-9-5-3-7-11(9)17-12-13-8-4-1-2-6-10(8)16-12/h1-2,4,6,11,15H,3,5,7H2/b14-9-/t11-/m0/s1 |
| InChIK | NYAYQVVYNBHMIS-HOXUKUGESA-N |
| TotalMolweight | 248.305 |
| Molweight | 248.305 |
| MonoisotopicMass | 248.061948 |
| CLogP | 3.5892 |
| CLogS | -4.159 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 183.4 |
| Relative PSA | 0.3663 |
| PolarSurfaceArea | 83.92 |
| Druglikeness | -1.0837 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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1 - (NZ)-N-[2-(1,3-benzoxazol-2-ylsulfanyl)cyclopentylidene]hydroxylamine | 2 - (NZ)-N-[2-(1,3-benzoxazol-2-ylsulfanyl)cyclopentylidene]hydroxylamine
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