324101 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 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 6 7 7 7 8 8 9 10 11 12 12 13 14 15 10 19 9 20 11 21 13 22 15 16 8 9 10 11 12 14 15 16 13 17 14 18 16 1 1 1 1 1 1 1 1 2 2 1 1 2 2 1 2 1 1 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 3.732 5.4804 3.732 7.2622 2 2 4.5981 4.5981 5.492 3.732 3.732 5.492 6.3981 6.3981 2.866 2.866 5.4848 6.9338 3.1951 6.0138 3.1951 7.8003 -1.9796 -2.0142 2.0204 1.0445 -0.9796 1.0204 -0.4796 0.5204 -1.0143 -0.9796 1.0204 1.055 0.5412 -0.5004 -0.4796 0.5204 1.675 -0.8125 -2.2896 -2.3304 2.3304 0.7366 8 8 8 8 8 8 7 7 8 9 12 13 8 9 12 14 13 14 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 544 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 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 0000037180703800000000000000000000000000000000000000204000000000000000800000001A00000800000C048080000000000002008802A052000200000020200000080140004808040400010000500004E0000891024000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1,4,5,7-tetrahydroxynaphthalene-2,3-dione IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1,4,5,7-tetrahydroxynaphthalene-2,3-dione IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1,4,5,7-tetrahydroxynaphthalene-2,3-dione IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1,4,5,7-tetrahydroxynaphthalene-2,3-dione IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1,4,5,7-tetrakis(oxidanyl)naphthalene-2,3-dione IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1,4,5,7-tetrahydroxy-2,3-naphthoquinone InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C10H6O6/c11-3-1-4-6(5(12)2-3)8(14)10(16)9(15)7(4)13/h1-2,11-14H InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 JHMLTYYMTQKQHH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -0.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 222.01643791 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C10H6O6 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 222.15 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=C(C=C(C2=C(C(=O)C(=O)C(=C21)O)O)O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=C(C=C(C2=C(C(=O)C(=O)C(=C21)O)O)O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 115 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 222.01643791 16 0 0 0 0 0 0 0 1 -1