67031375 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 8 8 7 7 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 5 5 6 6 7 7 8 8 9 10 8 17 4 20 5 15 16 18 19 6 7 9 11 10 12 9 10 13 14 1 1 1 1 1 1 1 1 1 2 1 1 1 2 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 18 19 20 1.403 5.3429 1.403 6.2089 1.403 0.5369 2.269 1.403 0.5369 2.269 0 2.8059 0 2.8059 1.9399 0.866 0.866 6.7458 6.2089 4.8059 0.31 1.75 4.31 2.25 3.31 2.81 2.81 1.31 1.81 1.81 3.12 3.12 1.5 1.5 4.62 4.62 0 1.94 2.87 2.06 8 8 8 8 8 8 5 5 6 7 8 8 6 7 9 10 9 10 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 68.9 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.408 Cactvs xemistry.com 2012.11.26 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.408 Cactvs xemistry.com 2012.11.26 4 Count Rotatable Bond 5 E_NROTBONDS 3.408 Cactvs xemistry.com 2012.11.26 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.408 Cactvs xemistry.com 2012.11.26 00000371C0633000000000000000000000000000000000000000300000000000000000010000001E0014080000080C81900030C680400200800024424000820000202200088800066C8808262282919380700064D01108D807B040000000400000000000000080000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 4-aminophenol;hydroxylamine IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 4-aminophenol;hydroxylamine IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 4-aminophenol;hydroxylamine IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 4-azanylphenol;azinous acid IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 4-aminophenol;hydroxylamine InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/C6H7NO.H3NO/c7-5-1-3-6(8)4-2-5;1-2/h1-4,8H,7H2;2H,1H2 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 CLYMJTBMXZGRFL-UHFFFAOYSA-N Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 142.074228 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 C6H10N2O2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 142.1558 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 C1=CC(=CC=C1N)O.NO SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 C1=CC(=CC=C1N)O.NO Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 92.5 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 142.074228 10 0 0 0 0 0 0 0 2 4