5521 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 15 8 8 7 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 4 4 5 5 5 5 6 7 7 8 8 8 9 10 10 10 2 3 6 10 22 7 8 18 6 7 11 12 9 13 14 9 15 16 17 19 20 21 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 3 3 2 3 3.866 3 3.866 2.134 2.134 4 4.4766 4.0781 4.0781 4.4766 1.5234 1.9219 1.597 3 4 4.62 4 3.5369 1.155 2.155 1.155 -1.845 -0.345 0.155 -1.345 -1.345 -0.345 1.155 -0.4527 0.2376 -1.9276 -1.2373 -1.2373 -1.9276 -0.035 -2.465 0.535 1.155 1.775 2.465 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 200 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0623002000000000000000000000000000000000000200000000000000000000000001C08100820000800C10004020002C000308040204200808000002000000008800800080000000001000400000010008800020000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 methyl(1,2,3,6-tetrahydropyridin-4-yl)phosphinic acid IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 methyl(1,2,3,6-tetrahydropyridin-4-yl)phosphinic acid IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 methyl(1,2,3,6-tetrahydropyridin-4-yl)phosphinic acid IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 methyl(1,2,3,6-tetrahydropyridin-4-yl)phosphinic acid IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 methyl(1,2,3,6-tetrahydropyridin-4-yl)phosphinic acid IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 methyl(1,2,3,6-tetrahydropyridin-4-yl)phosphinic acid InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C6H12NO2P/c1-10(8,9)6-2-4-7-5-3-6/h2,7H,3-5H2,1H3,(H,8,9) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 MFUKVPOVVKKLRQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -3.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 161.06056562 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C6H12NO2P Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 161.14 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CP(=O)(C1=CCNCC1)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CP(=O)(C1=CCNCC1)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 49.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 161.06056562 10 0 0 0 0 0 0 0 1 -1