22330401 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 9 9 8 7 7 6 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 4 4 4 5 5 6 6 6 6 7 8 8 9 9 10 12 12 13 13 14 14 15 15 16 16 17 18 19 19 18 20 11 9 11 23 7 10 7 8 21 22 11 12 13 10 14 15 18 24 19 25 16 26 17 27 17 28 29 20 20 30 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 2 2 1 1 2 1 1 1 1 1 2 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 8.1301 6.3981 6.3981 4.666 4.666 6.3981 5.5321 6.3981 3.8 3.8 5.5321 7.2641 5.5321 2.9061 2.9061 2 2 7.2641 5.5321 6.3981 6.6101 7.0087 4.666 7.801 4.9951 2.9132 2.9132 1.4643 1.4643 4.9951 2.31 3.31 -2.69 -2.69 -0.69 -0.69 -1.19 0.31 -2.19 -1.19 -2.19 0.81 0.81 -2.7247 -0.6553 -2.2108 -1.1692 1.81 1.81 2.31 -1.2726 -0.5823 -3.31 0.5 0.5 -3.3446 -0.0354 -2.5229 -0.8571 2.12 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 7 8 8 9 9 10 12 13 14 15 16 18 19 9 11 7 10 11 12 13 10 14 15 18 19 16 17 17 20 20 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 413 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 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 00000371C0732180000000000000000000000000000000000000306080000000000000814000001F00100000000C0881980830C082C00000A80325725400820000210200088801307488086032C09191942008609400C8C8071888808E00000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[(3,4-difluorophenyl)methyl]-1H-quinoxalin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[(3,4-difluorophenyl)methyl]-1H-quinoxalin-2-one IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[(3,4-difluorophenyl)methyl]-1<I>H</I>-quinoxalin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[(3,4-difluorophenyl)methyl]-1H-quinoxalin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[[3,4-bis(fluoranyl)phenyl]methyl]-1H-quinoxalin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(3,4-difluorobenzyl)-1H-quinoxalin-2-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H10F2N2O/c16-10-6-5-9(7-11(10)17)8-14-15(20)19-13-4-2-1-3-12(13)18-14/h1-7H,8H2,(H,19,20) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 KPPQEXODPWXOCN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 272.07611927 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C15H10F2N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 272.25 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C(=C1)NC(=O)C(=N2)CC3=CC(=C(C=C3)F)F SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C(=C1)NC(=O)C(=N2)CC3=CC(=C(C=C3)F)F Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 41.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 272.07611927 20 0 0 0 0 0 0 0 1 -1