10444193 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 8 8 8 8 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 2 2 3 3 4 4 5 5 6 7 8 8 8 9 9 10 11 12 13 15 16 16 10 19 11 20 12 21 13 22 14 23 15 17 9 10 12 11 15 13 14 16 14 17 17 18 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 2 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 4.269 4.269 6.0174 2.5369 2.5369 6.0174 7.7991 5.135 5.135 4.269 4.269 6.029 3.403 3.403 6.029 6.935 6.935 7.4708 3.732 3.732 6.5507 2 2 -1.9796 2.0204 -2.0142 -0.9796 1.0204 2.055 1.0445 -0.4796 0.5204 -0.9796 1.0204 -1.0143 -0.4796 0.5204 1.055 -0.5004 0.5412 -0.8125 -2.2896 2.3304 -2.3304 -0.6696 0.7104 8 8 8 8 8 8 8 8 9 10 11 13 9 10 11 13 14 14 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 402 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 7 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 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 0000037180703800000000000000000000000000000000000000304000000000000000810000001A00000800000C048098000006800002008802A05200000200002420000088010488C809273682141280714125E015099907CAECB4CEA1000108001840004200021000308000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4,5,6,7,8-pentahydroxynaphthalene-1,2-dione IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4,5,6,7,8-pentahydroxynaphthalene-1,2-dione IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 4,5,6,7,8-pentahydroxynaphthalene-1,2-dione IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 4,5,6,7,8-pentahydroxynaphthalene-1,2-dione IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 4,5,6,7,8-pentakis(oxidanyl)naphthalene-1,2-dione IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 4,5,6,7,8-pentahydroxy-1,2-naphthoquinone InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C10H6O7/c11-2-1-3(12)6(13)5-4(2)7(14)9(16)10(17)8(5)15/h1,11,14-17H InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 OSCDUVMWLUYRCU-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 0.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 238.01135253 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C10H6O7 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 238.15 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=C(C2=C(C(=C(C(=C2O)O)O)O)C(=O)C1=O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=C(C2=C(C(=C(C(=C2O)O)O)O)C(=O)C1=O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 135 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 238.01135253 17 0 0 0 0 0 0 0 1 -1