N-[(2Z)-2-hydroxyimino-2-thiophen-2-ylethyl]-N-[(Z)-pyrrol-2-ylidenemethyl]hydroxylamine
Formula:C11H11N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(2Z)-2-hydroxyimino-2-thiophen-2-ylethyl]-N-[(Z)-pyrrol-2-ylidenemethyl]hydroxylamine is a drug-like molecule.
| MolName | N-[(2Z)-2-hydroxyimino-2-thiophen-2-ylethyl]-N-[(Z)-pyrrol-2-ylidenemethyl]hydroxylamine |
| MolecularFormula | C11H11N3O2S |
| Smiles | ON(C/C(/c1cccs1)=N/O)/C=C1\N=CC=C1 |
| InChI | InChI=1S/C11H11N3O2S/c15-13-10(11-4-2-6-17-11)8-14(16)7-9-3-1-5-12-9/h1-7,15-16H,8H2 |
| InChIK | LHPDDXMKUKIHBH-UHFFFAOYSA-N |
| TotalMolweight | 249.293 |
| Molweight | 249.293 |
| MonoisotopicMass | 249.057197 |
| CLogP | 0.7059 |
| CLogS | -3.102 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 191.4 |
| Relative PSA | 0.38208 |
| PolarSurfaceArea | 96.66 |
| Druglikeness | 3.9438 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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