68121804 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 30 17 8 7 6 6 6 6 6 6 1 1 1 1 1 1 1 1 2 3 3 4 4 4 5 5 6 7 7 8 8 9 9 10 18 6 17 5 15 16 6 7 8 9 11 10 12 10 13 14 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 4.586 0 3.5369 5.269 5.269 4.403 6.135 4.403 6.135 5.269 6.672 3.866 6.672 5.269 5.8059 4.732 3 1 0 2.965 5.12 6.12 5.12 4.62 4.62 3.62 3.62 3.12 4.93 3.31 3.31 2.5 6.43 6.43 4.81 2.965 8 8 8 8 8 8 5 5 6 7 8 9 6 7 8 9 10 10 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 74.9 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0622000040000020000000000000000000000000000300000000000000000010000001E0010080000080C81900030C680400200800024424000820000202200088800076C880A262292919380700064D01108D8079040000000000000000010000000000000002000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-aminophenol;zinc;hydrochloride IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-aminophenol;zinc;hydrochloride IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-aminophenol;zinc;hydrochloride IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-aminophenol;zinc;hydrochloride IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-azanylphenol;zinc;hydrochloride IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-aminophenol;zinc;hydrochloride InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C6H7NO.ClH.Zn/c7-5-3-1-2-4-6(5)8;;/h1-4,8H,7H2;1H; InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ZLFCRNVPGCHIHR-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 208.958583 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C6H8ClNOZn Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 211.0 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C(=C1)N)O.Cl.[Zn] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C(=C1)N)O.Cl.[Zn] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 46.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 208.958583 10 0 0 0 0 0 0 0 3 -1