(NE)-N-(4-chloro-3-nitro-1,1-dioxo-2H-thiophen-5-ylidene)hydroxylamine
Formula:C4H3N2O5ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-(4-chloro-3-nitro-1,1-dioxo-2H-thiophen-5-ylidene)hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-(4-chloro-3-nitro-1,1-dioxo-2H-thiophen-5-ylidene)hydroxylamine |
| MolecularFormula | C4H3N2O5ClS |
| Smiles | [O-][N+](C(CS(/C1=N/O)(=O)=O)=C1Cl)=O |
| InChI | InChI=1S/C4H3ClN2O5S/c5-3-2(7(9)10)1-13(11,12)4(3)6-8/h8H,1H2 |
| InChIK | KSHFVPQPZKEHDG-UHFFFAOYSA-N |
| TotalMolweight | 226.596 |
| Molweight | 226.596 |
| MonoisotopicMass | 225.94512 |
| CLogP | -1.1385 |
| CLogS | -1.466 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 133.67 |
| Relative PSA | 0.6255 |
| PolarSurfaceArea | 120.93 |
| Druglikeness | -8.2842 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 4 |
| Symmetricatoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (NE)-N-(4-chloro-3-nitro-1,1-dioxo-2H-thiophen-5-ylidene)hydroxylamine | 2 - (NE)-N-(4-chloro-3-nitro-1,1-dioxo-2H-thiophen-5-ylidene)hydroxylamine
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