| PDB CCD ID: | S4Y |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C11 H13 Cl N2 O2 |
| InChI: | InChI=1S/C11H13ClN2O2/c12-8-3-1-7(2-4-8)9-5-6-10(16-9)11(15)14-13/h1-4,9-10H,5-6,13H2,(H,14,15) |
| InChIKey: | ADMQSYHHBOTIMC-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1cc(ccc1C2CCC(O2)C(=O)NN)Cl | | CACTVS 3.385 | NNC(=O)[CH]1CC[CH](O1)c2ccc(Cl)cc2 | | OpenEye OEToolkits 2.0.7 | c1cc(ccc1[C@H]2CC[C@H](O2)C(=O)NN)Cl | | CACTVS 3.385 | NNC(=O)[C@@H]1CC[C@@H](O1)c2ccc(Cl)cc2 | | ACDLabs 12.01 | c1c(ccc(c1)Cl)C2CCC(C(NN)=O)O2 |
|
| Name: | (2R,5S)-5-(4-chlorophenyl)oxolane-2-carbohydrazide |
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