23906720 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 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 1 2 3 3 3 4 4 5 5 5 5 6 7 7 8 8 9 11 11 12 12 13 13 14 14 15 15 16 17 18 18 19 17 10 8 10 22 6 9 6 7 20 21 10 12 13 9 11 14 15 23 17 24 18 25 16 26 16 27 28 19 19 29 30 1 2 1 1 1 2 1 1 1 1 1 1 2 1 1 2 2 1 1 1 1 2 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 30 8.1301 6.3981 4.666 4.666 6.3981 5.5321 6.3981 3.8 3.8 5.5321 2.9061 7.2641 5.5321 2.9061 2 2 7.2641 5.5321 6.3981 6.6101 7.0087 4.666 2.9132 7.801 4.9951 2.9132 1.4643 1.4643 4.9951 6.3981 2.81 -2.19 -2.19 -0.19 -0.19 -0.69 0.81 -1.69 -0.69 -1.69 -2.2247 1.31 1.31 -0.1553 -1.7108 -0.6692 2.31 2.31 2.81 -0.7726 -0.0823 -2.81 -2.8446 1 1 0.4646 -2.0229 -0.3571 2.62 3.43 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 17 18 8 10 6 9 10 12 13 9 11 14 15 17 18 16 16 19 19 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 382 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 00000371C0732100000000000000000000000000000000000000306080000000000000814000001F00100000000C0881980830C082C00000A80325725400820000210200088801307488086032C09191942008609400C8C8071888808E00000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[(3-fluorophenyl)methyl]-1H-quinoxalin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[(3-fluorophenyl)methyl]-1H-quinoxalin-2-one IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[(3-fluorophenyl)methyl]-1<I>H</I>-quinoxalin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[(3-fluorophenyl)methyl]-1H-quinoxalin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[(3-fluorophenyl)methyl]-1H-quinoxalin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(3-fluorobenzyl)-1H-quinoxalin-2-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H11FN2O/c16-11-5-3-4-10(8-11)9-14-15(19)18-13-7-2-1-6-12(13)17-14/h1-8H,9H2,(H,18,19) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ZDTZYACEMAYMQV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 254.08554114 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C15H11FN2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 254.26 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C(=C1)NC(=O)C(=N2)CC3=CC(=CC=C3)F SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C(=C1)NC(=O)C(=N2)CC3=CC(=CC=C3)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 2021.05.07 254.08554114 19 0 0 0 0 0 0 0 1 -1