23354392 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 9 9 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 2 3 4 4 4 5 5 6 6 7 8 8 9 9 11 11 12 13 14 15 15 16 16 17 17 18 18 19 12 13 10 6 10 20 7 8 7 11 12 9 10 15 16 13 21 14 14 22 17 23 18 24 19 25 19 26 27 1 1 2 1 1 1 1 2 2 1 1 1 1 2 1 2 1 2 1 1 1 1 2 1 2 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 24 25 26 27 3.7817 2 7.2622 5.5301 5.5301 4.6641 4.6641 6.3961 7.2622 6.3961 3.7702 3.7702 2.8641 2.8641 8.1282 7.2622 8.9942 8.1282 8.9942 5.5301 3.7773 2.3284 8.1282 6.7252 9.5312 8.1282 9.5312 1.5946 -1.4642 -1.44 -1.44 0.56 -0.94 0.06 0.06 0.56 -0.94 -1.4747 0.5947 -0.9608 0.0808 0.06 1.56 0.56 2.06 1.56 -2.06 -2.0946 0.3929 -0.56 1.87 0.25 2.68 1.87 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 6 6 7 8 9 9 11 12 13 15 16 17 18 6 10 7 8 7 11 12 10 15 16 13 14 14 17 18 19 19 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 393 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0732180000000000000000000000000000000000000306080000000000000814000001F00100000000C0881980830C082C00000A803257254008200002102000888012074980860B2C09591942008609400C8C8071888808E00000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 5,7-difluoro-3-phenyl-1H-quinoxalin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 5,7-difluoro-3-phenyl-1H-quinoxalin-2-one IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 5,7-difluoro-3-phenyl-1<I>H</I>-quinoxalin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 5,7-difluoro-3-phenyl-1H-quinoxalin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 5,7-bis(fluoranyl)-3-phenyl-1H-quinoxalin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 5,7-difluoro-3-phenyl-1H-quinoxalin-2-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C14H8F2N2O/c15-9-6-10(16)13-11(7-9)17-14(19)12(18-13)8-4-2-1-3-5-8/h1-7H,(H,17,19) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 RAEKSWLVSPOSKI-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 258.06046921 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C14H8F2N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 258.22 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3F)F)NC2=O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3F)F)NC2=O 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 2021.05.07 258.06046921 19 0 0 0 0 0 0 0 1 -1