67330966 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 8 7 7 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 4 4 5 5 6 6 7 7 8 9 3 5 4 14 15 16 17 6 7 8 9 8 10 9 11 12 13 1 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 3.403 3.403 2.5369 3.403 3.403 4.269 2.5369 4.269 2.5369 4.8059 2 4.8059 2 3.9399 2.866 2.5369 2 -1.595 2.405 -2.095 1.405 -0.595 0.905 0.905 -0.095 -0.095 1.215 1.215 -0.405 -0.405 2.715 2.715 -2.715 -1.785 8 8 8 8 8 8 4 4 5 5 6 7 6 7 8 9 8 9 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 79.1 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 00000371C0632000000000000000000000000000000000000000300000000000000000010000001E0014000000080C81900030C680400000800024424000820000202200088800066C8808262280919380300064D01108C807B040000000400000000000000080000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 O-(4-aminophenyl)hydroxylamine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 O-(4-aminophenyl)hydroxylamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>O</I>-(4-aminophenyl)hydroxylamine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 O-(4-aminophenyl)hydroxylamine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 O-(4-aminophenyl)hydroxylamine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 O-(4-aminophenyl)hydroxylamine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C6H8N2O/c7-5-1-3-6(9-8)4-2-5/h1-4H,7-8H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 GVOJHPJZFDPCHV-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 124.063662883 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C6H8N2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 124.14 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC(=CC=C1N)ON SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC(=CC=C1N)ON Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 61.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 124.063662883 9 0 0 0 0 0 0 0 1 -1