4031878 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 9 8 7 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 2 3 3 3 4 4 5 5 5 6 6 7 7 8 8 9 11 12 12 13 13 14 14 15 15 16 17 17 18 19 16 10 8 10 20 6 9 11 28 29 7 10 11 12 9 13 14 15 16 21 17 22 18 23 19 24 19 18 25 26 27 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 2 2 1 2 1 1 1 1 1 2 1 1 2 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 24 25 26 27 28 29 8.9962 6.3981 4.666 4.666 5.5321 5.5321 6.3981 3.8 3.8 5.5321 6.3981 7.2641 2.9061 2.9061 7.2641 8.1301 2 2 8.1301 4.666 7.2641 2.9132 2.9132 7.2641 1.4643 1.4643 8.6671 5.5321 4.9951 -0.25 -1.75 -1.75 0.25 1.75 -0.25 0.25 -1.25 -0.25 -1.25 1.25 -0.25 -1.7847 0.2847 1.75 0.25 -1.2708 -0.2292 1.25 -2.37 -0.87 -2.4046 0.9046 2.37 -1.5829 0.0829 1.56 2.37 1.44 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 6 7 7 8 8 9 11 12 13 14 15 16 17 8 10 6 9 10 11 12 9 13 14 15 16 17 18 19 19 18 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 398 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0732100000000000000000000000000000000000000306080000000000000814000001F00100000000C0881980830C082C00000A803257254008200002102000888012074980860B2C09591942008609400C8C8071C88808E00000000000200200000000000040040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(2-amino-5-fluoro-phenyl)-1H-quinoxalin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(2-amino-5-fluorophenyl)-1H-quinoxalin-2-one IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(2-amino-5-fluorophenyl)-1<I>H</I>-quinoxalin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(2-amino-5-fluorophenyl)-1H-quinoxalin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(2-azanyl-5-fluoranyl-phenyl)-1H-quinoxalin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(2-amino-5-fluoro-phenyl)-1H-quinoxalin-2-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C14H10FN3O/c15-8-5-6-10(16)9(7-8)13-14(19)18-12-4-2-1-3-11(12)17-13/h1-7H,16H2,(H,18,19) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 DKHGUPFXXFBAOL-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 255.08079011 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C14H10FN3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 255.25 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C(=C1)NC(=O)C(=N2)C3=C(C=CC(=C3)F)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C(=C1)NC(=O)C(=N2)C3=C(C=CC(=C3)F)N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 67.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 255.08079011 19 0 0 0 0 0 0 0 1 -1