71562776 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 31 32 33 34 9 8 8 8 8 8 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 1 2 2 3 3 4 5 5 6 7 7 8 8 8 9 10 10 11 12 12 13 13 14 14 16 16 16 17 18 19 19 19 22 22 22 15 11 19 20 22 20 21 34 21 9 18 9 10 12 13 11 23 14 15 24 17 25 15 26 17 18 20 27 28 21 29 30 31 32 33 1 1 1 1 1 2 1 1 2 2 1 1 2 1 1 1 1 2 2 1 2 1 1 1 1 2 1 1 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 24 25 26 27 28 29 30 31 32 33 34 7.1962 3.732 6.3301 4.5981 2.866 2 4.5981 5.4641 5.4641 4.5981 4.5981 6.3301 6.3301 5.4641 6.3301 5.4641 6.3301 4.5981 3.732 5.4641 2.866 6.3301 4.0611 6.8671 6.8671 5.4641 6.8671 4.0611 3.9441 4.3426 6.9501 6.3301 5.7101 2.3291 -2.345 -2.345 4.155 4.155 -4.845 -3.345 1.155 -0.345 0.655 -0.845 -1.845 -0.845 1.155 -2.345 -1.845 2.655 2.155 2.155 -3.345 3.655 -3.845 5.155 -0.535 -0.535 0.845 -2.965 2.465 2.465 -3.9276 -3.2373 5.155 5.775 5.155 -5.155 8 8 8 8 8 8 8 8 8 8 8 8 7 7 8 8 9 10 11 12 13 14 16 16 9 18 10 12 13 11 14 15 17 15 17 18 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 405 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 7 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07239000000000000000000000000000000000000003C400000000000000001C000001F00000800000C0CE19E0E3E8E92081600A80334F74C0282882035222008D8217E6CD80D26FAC4B59F8639A8E6C011CBE9C7B8D9F39E00000100000000000000020000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[3-fluoro-5-(5-methoxycarbonyl-2-pyridyl)phenoxy]acetic acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[3-fluoro-5-(5-methoxycarbonyl-2-pyridinyl)phenoxy]acetic acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[3-fluoro-5-(5-methoxycarbonylpyridin-2-yl)phenoxy]acetic acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[3-fluoro-5-(5-methoxycarbonylpyridin-2-yl)phenoxy]acetic acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[3-fluoranyl-5-(5-methoxycarbonylpyridin-2-yl)phenoxy]ethanoic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[3-(5-carbomethoxy-2-pyridyl)-5-fluoro-phenoxy]acetic acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H12FNO5/c1-21-15(20)9-2-3-13(17-7-9)10-4-11(16)6-12(5-10)22-8-14(18)19/h2-7H,8H2,1H3,(H,18,19) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 GKGNRLHMZUZTEF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 305.06995065 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C15H12FNO5 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 305.26 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC(=O)C1=CN=C(C=C1)C2=CC(=CC(=C2)F)OCC(=O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC(=O)C1=CN=C(C=C1)C2=CC(=CC(=C2)F)OCC(=O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 85.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 305.06995065 22 0 0 0 0 0 0 0 1 -1