69932850 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 8 7 7 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 4 5 5 5 6 7 7 7 8 9 9 10 10 11 13 13 14 12 6 13 8 14 12 22 23 6 7 9 8 12 15 16 10 11 17 11 18 19 14 20 21 2 1 2 1 2 1 1 1 2 1 1 1 1 1 1 2 2 1 1 1 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 5.492 5.492 2.866 3.732 4.5981 3.732 4.5981 2.866 3.732 2.866 2.866 6.3981 6.3981 3.9441 4.3426 2.3291 3.732 2.3291 6.9338 6.9338 2.3291 3.403 -0.6123 0.353 2.4223 -2.1123 0.3877 0.8877 -0.6123 1.8877 0.8877 2.3877 1.8877 -1.1123 0.8669 1.9085 -1.1949 -0.5047 0.5777 3.0077 2.1977 0.5548 2.2205 -2.4223 -2.4223 8 8 8 8 8 8 8 8 8 8 8 2 2 3 3 5 5 6 8 9 10 13 6 13 8 14 6 9 8 10 11 11 14 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 219 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07320000000000000000000000000000000000000003C4000000000000000B1F000001E00100000000C08C19E043CC0B2481000A8033577540082802431122008D8213874980860F2C09591942008609000C8C8071C89809E00000040000200200000008000040040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-quinoxalin-5-ylacetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(5-quinoxalinyl)acetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-quinoxalin-5-ylacetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-quinoxalin-5-ylacetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-quinoxalin-5-ylethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-quinoxalin-5-ylacetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C10H9N3O/c11-9(14)6-7-2-1-3-8-10(7)13-5-4-12-8/h1-5H,6H2,(H2,11,14) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 AJYAGCQANRNGJY-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 0.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 187.074561919 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C10H9N3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 187.20 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC(=C2C(=C1)N=CC=N2)CC(=O)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC(=C2C(=C1)N=CC=N2)CC(=O)N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 68.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 187.074561919 14 0 0 0 0 0 0 0 1 -1