57168094 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 28 29 30 15 8 8 8 7 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 1 2 3 5 5 5 6 6 6 7 7 8 8 9 9 10 10 11 11 12 12 13 13 14 14 15 16 17 18 2 3 4 7 8 9 27 28 10 29 30 11 13 12 14 15 17 16 18 15 19 16 20 17 21 18 22 23 24 25 26 1 1 2 1 1 1 1 1 1 1 1 2 1 2 1 2 1 2 1 1 1 1 1 2 1 2 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 23 24 25 26 27 28 29 30 6.001 6.8671 6.001 5.135 6.8671 2.5369 6.8671 5.135 6.8671 3.403 6.001 4.269 7.7331 5.135 6.001 3.403 7.7331 4.269 5.4641 4.269 8.27 5.672 5.4641 2.866 8.27 4.269 7.404 6.3301 2.5369 2 -0.595 -0.095 -1.595 -0.095 3.905 -3.595 0.905 -2.095 2.905 -3.095 1.405 -1.595 1.405 -3.095 2.405 -2.095 2.405 -3.595 1.095 -0.975 1.095 -3.405 2.715 -1.785 2.715 -4.215 4.215 4.215 -4.215 -3.285 8 8 8 8 8 8 8 8 8 8 8 8 7 7 8 8 9 9 10 10 11 12 13 14 11 13 12 14 15 17 16 18 15 16 17 18 1 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 249 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0733002000000000000000000000000000000000000306000000000000000014000001E0010002000080C81900030C680400110804024424080820000202200088800066C8808262280919380300064D01108C807B040000000400000000000000080000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bis(4-aminophenoxy)-oxo-phosphonium IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bis(4-aminophenoxy)-oxophosphonium IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bis(4-aminophenoxy)-oxophosphanium IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bis(4-aminophenoxy)-oxophosphanium IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bis(4-azanylphenoxy)-oxidanylidene-phosphanium IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bis(4-aminophenoxy)-keto-phosphonium InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C12H12N2O3P/c13-9-1-5-11(6-2-9)16-18(15)17-12-7-3-10(14)4-8-12/h1-8H,13-14H2/q+1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 QAYZDXPAJBJDPS-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 263.05855425 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C12H12N2O3P+ Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 263.21 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC(=CC=C1N)O[P+](=O)OC2=CC=C(C=C2)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC(=CC=C1N)O[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 87.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 263.05855425 18 0 0 0 0 0 0 0 1 -1