(NE)-N-(7-chloro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)hydroxylamine
Formula:C9H8NO3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-(7-chloro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)hydroxylamine is a drug-like molecule.
| MolName | (NE)-N-(7-chloro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)hydroxylamine |
| MolecularFormula | C9H8NO3ClS |
| Smiles | O/N=C(\CC1)/c(ccc(Cl)c2)c2S1(=O)=O |
| InChI | InChI=1S/C9H8ClNO3S/c10-6-1-2-7-8(11-12)3-4-15(13,14)9(7)5-6/h1-2,5,12H,3-4H2 |
| InChIK | ISEQWOHIJKNHSL-UHFFFAOYSA-N |
| TotalMolweight | 245.686 |
| Molweight | 245.686 |
| MonoisotopicMass | 244.991341 |
| CLogP | 1.6919 |
| CLogS | -3.876 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 160.6 |
| Relative PSA | 0.3312 |
| PolarSurfaceArea | 75.11 |
| Druglikeness | -3.2979 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 1 |
| StereoCon |
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1 - (NE)-N-(7-chloro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)hydroxylamine | 2 - (NE)-N-(7-chloro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)hydroxylamine
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