67417027 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 15 8 8 7 6 6 6 6 6 6 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 6 6 7 7 8 8 9 9 10 11 12 12 13 13 14 14 15 15 16 2 3 5 6 7 26 27 12 13 8 9 10 11 10 17 11 18 19 20 14 21 15 22 16 23 16 24 25 1 2 1 1 1 1 1 2 1 2 1 2 1 1 1 2 1 1 1 1 1 2 1 2 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 23 24 25 26 27 3.732 2.866 4.5981 2.866 3.732 2.866 2.866 2 3.732 2 3.732 4.5981 2.866 4.5981 2.866 3.732 1.4631 4.269 1.4631 4.269 5.135 2.3291 5.135 2.3291 3.732 2.3291 3.403 0.905 0.405 0.405 -3.595 1.905 -0.595 -2.595 -1.095 -1.095 -2.095 -2.095 2.405 2.405 3.405 3.405 3.905 -0.785 -0.785 -2.405 -2.405 2.095 2.095 3.715 3.715 4.525 -3.905 -3.905 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 7 7 8 9 12 13 14 15 12 13 8 9 10 11 10 11 14 15 16 16 1 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 233 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0723002000000000000000000000000000000000000306000000000000000014000001E0810002000080C81900030C680400110804024424080820000202200088800066C8808262280919380300064D01108C807B040000000400000000000000080000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-aminophenoxy)-oxo-phenyl-phosphonium IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-aminophenoxy)-oxo-phenylphosphonium IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-aminophenoxy)-oxo-phenylphosphanium IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-aminophenoxy)-oxo-phenylphosphanium IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-azanylphenoxy)-oxidanylidene-phenyl-phosphanium IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-aminophenoxy)-keto-phenyl-phosphonium InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C12H11NO2P/c13-10-6-8-11(9-7-10)15-16(14)12-4-2-1-3-5-12/h1-9H,13H2/q+1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 YEANEZMTVXFGMM-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 232.05274059 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C12H11NO2P+ Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 232.19 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)[P+](=O)OC2=CC=C(C=C2)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)[P+](=O)OC2=CC=C(C=C2)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 52.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 232.05274059 16 0 0 0 0 0 0 0 1 -1