5354979 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 5 5 6 6 7 7 7 7 8 8 8 11 12 13 13 14 15 15 16 16 17 17 18 11 12 9 25 26 10 27 28 6 9 11 10 12 8 9 19 20 10 21 22 13 14 14 15 16 17 23 18 24 18 29 30 2 2 1 1 1 1 1 1 1 2 1 2 1 1 1 1 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 19 20 21 22 23 24 25 26 27 28 29 30 4.666 4.666 6.4144 6.4144 5.5321 5.5321 7.3321 7.3321 6.426 6.426 4.666 4.666 3.8 3.8 2.9061 2.9061 2 2 7.9429 7.5411 7.5411 7.9429 2.9132 2.9132 6.9478 5.874 6.9478 5.874 1.4643 1.4643 2 -2 2.0346 -2.0346 0.5 -0.5 0.5208 -0.5208 1.0347 -1.0347 1 -1 0.5 -0.5 1.0347 -1.0347 0.5208 -0.5208 0.4147 1.1045 -1.1045 -0.4147 1.6546 -1.6546 2.3508 2.3384 -2.3508 -2.3384 0.8329 -0.8329 8 8 8 8 8 8 13 13 14 15 16 17 14 15 16 17 18 18 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 456 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 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 00000371C0733000000000000000000000000000000000000000306080000000000000C10000001E00100000000C0C8198003000804000008802A45240000200002400000888010000C80820328095108021002090000889C70988808E80000000001000000000000000200000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1,4-diamino-2,3-dihydroanthracene-9,10-dione IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1,4-diamino-2,3-dihydroanthracene-9,10-dione IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1,4-diamino-2,3-dihydroanthracene-9,10-dione IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1,4-diamino-2,3-dihydroanthracene-9,10-dione IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1,4-bis(azanyl)-2,3-dihydroanthracene-9,10-dione IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1,4-diamino-2,3-dihydroanthracene-9,10-quinone InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C14H12N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-4H,5-6,15-16H2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 SSGALQHXKMAJTL-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 240.089877630 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C14H12N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 240.26 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1CC(=C2C(=C1N)C(=O)C3=CC=CC=C3C2=O)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1CC(=C2C(=C1N)C(=O)C3=CC=CC=C3C2=O)N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 86.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 240.089877630 18 0 0 0 0 0 0 0 1 -1