(NZ)-N-[(3-chloro-1-benzothiophen-2-yl)methylidene]hydroxylamine
Formula:C9H6NOClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[(3-chloro-1-benzothiophen-2-yl)methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[(3-chloro-1-benzothiophen-2-yl)methylidene]hydroxylamine |
| MolecularFormula | C9H6NOClS |
| Smiles | O/N=C\c(sc1c2cccc1)c2Cl |
| InChI | InChI=1S/C9H6ClNOS/c10-9-6-3-1-2-4-7(6)13-8(9)5-11-12/h1-5,12H |
| InChIK | KSSLVPQWNVMGLB-UHFFFAOYSA-N |
| TotalMolweight | 211.672 |
| Molweight | 211.672 |
| MonoisotopicMass | 210.985861 |
| CLogP | 3.7415 |
| CLogS | -4.4 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 150.33 |
| Relative PSA | 0.29914 |
| PolarSurfaceArea | 60.83 |
| Druglikeness | 1.0242 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 1 |
| StereoCon |
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