23671306 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 19 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 2 -1 1 2 3 3 4 5 5 6 6 7 7 8 8 9 9 10 11 12 12 13 13 14 14 15 15 16 2 9 4 5 6 7 8 12 13 10 17 11 18 10 11 19 20 14 21 15 22 16 23 16 24 25 7 1 2 1 1 2 1 2 1 1 1 2 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 2 2.866 2.866 3.732 2.866 3.732 2 3.732 2.866 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 -4 -3.5 0.5 1 -0.5 2 -1 -1 -2.5 -2 -2 2.5 2.5 3.5 3.5 4 -0.69 -0.69 -2.31 -2.31 2.19 2.19 3.81 3.81 4.62 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 7 8 9 9 12 13 14 15 7 8 12 13 10 11 10 11 14 15 16 16 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 209 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 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0732000004000000000000000000000000000000000306000000000000000014000001E0008000000080C81900030C680000000820024424000820000202200088800066C8808262280919380300064C01108C807B040000000400000000000000080000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 potassium;4-phenylazophenolate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 potassium;4-phenyldiazenylphenolate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 potassium;4-phenyldiazenylphenolate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 potassium;4-phenyldiazenylphenolate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 potassium;4-phenyldiazenylphenolate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 potassium;4-phenylazophenolate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C12H10N2O.K/c15-12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10;/h1-9,15H;/q;+1/p-1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 WDVHYAYZGFQWHS-UHFFFAOYSA-M Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 236.03519440 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C12H9KN2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 236.31 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[O-].[K+] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[O-].[K+] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 47.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 236.03519440 16 0 0 0 0 0 0 0 2 -1