69820966 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 8 8 8 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 5 5 6 6 6 7 7 8 8 9 10 11 11 12 12 13 4 21 4 22 10 23 5 6 7 10 8 14 15 9 11 9 16 17 12 13 18 13 19 20 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 2 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 2.62 3.62 4.8684 3.12 3.986 2.254 3.986 2.254 3.12 4.88 4.88 5.786 5.786 1.6434 2.0419 1.717 3.12 4.8728 6.3218 6.3218 2 3.31 5.4017 -1.1819 -1.1819 -1.3504 -0.3158 0.1842 0.1842 1.1842 1.1842 1.6842 -0.3505 1.7188 0.1633 1.205 0.2918 -0.3985 1.4942 2.3042 2.3388 -0.1487 1.517 -1.1819 -1.7188 -1.6666 8 8 8 8 8 8 5 5 7 10 11 12 7 10 11 12 13 13 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 222 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 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 00000371C0703000000000000000000000000000000000000000304000000000000000810000001A00000800000C04809800300E8000020080022042000002000020200008880006088808272282111280700025C01108980780C0B00E80000100001800000000020000300000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2H-naphthalene-1,1,8-triol IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2H-naphthalene-1,1,8-triol IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2<I>H</I>-naphthalene-1,1,8-triol IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2H-naphthalene-1,1,8-triol IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2H-naphthalene-1,1,8-triol IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2H-naphthalene-1,1,8-triol InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C10H10O3/c11-8-5-1-3-7-4-2-6-10(12,13)9(7)8/h1-5,11-13H,6H2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 BPFHPGAIYJRGEE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 0.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 178.062994177 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C10H10O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 178.18 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1C=CC2=C(C1(O)O)C(=CC=C2)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1C=CC2=C(C1(O)O)C(=CC=C2)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 60.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 178.062994177 13 0 0 0 0 0 0 0 1 -1