68752 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 8 8 7 7 6 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 1 1 1 2 3 3 3 4 4 5 5 5 5 6 6 7 7 7 8 9 9 10 10 11 12 13 14 15 15 15 16 16 18 18 19 19 20 17 34 17 13 14 16 8 13 6 15 17 21 9 10 8 11 12 14 11 22 12 23 24 25 18 26 27 28 29 19 30 20 31 20 32 33 1 1 2 1 1 1 1 2 1 1 1 1 2 1 1 2 1 2 1 1 2 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 5 6 15 17 21 3 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 10.7619 9.2619 3.732 4.6783 9.2619 8.2619 6.2619 5.2619 7.7619 7.7619 6.7619 6.7619 3.732 4.6783 9.7619 2.866 9.7619 2.866 2 2 8.9519 8.0719 8.0719 6.4519 6.4519 4.8709 10.2988 10.0719 9.2249 2.866 2.866 1.4631 1.4631 11.0719 -0.5 -1.366 0.866 -0.4387 0.366 0.366 0.366 0.366 -0.5 1.232 -0.5 1.232 -0.134 1.1708 1.232 1.366 -0.5 -0.634 0.866 -0.134 0.903 -1.0369 1.769 -1.0369 1.769 1.7601 0.9221 1.769 1.542 1.986 -1.254 1.176 -0.444 -1.0369 8 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 3 3 3 4 4 5 6 6 7 7 8 9 10 13 16 18 19 13 14 16 8 13 15 9 10 11 12 14 11 12 18 19 20 20 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 352 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07B30000000000000000000000000000001600000003C400000000000005801F000001E00000800000D08C19F043FB89F0C1A00A80336F76C0082802D3112A009D8213874988868F2C09D919460086CC003C8C82798C8E08EC0000000000000008000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)propanoic acid IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[4-(2-imidazo[1,2-a]pyridinyl)phenyl]propanoic acid IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)propanoic acid IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)propanoic acid IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)propanoic acid IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(4-imidazo[1,2-a]pyridin-2-ylphenyl)propionic acid InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C16H14N2O2/c1-11(16(19)20)12-5-7-13(8-6-12)14-10-18-9-3-2-4-15(18)17-14/h2-11H,1H3,(H,19,20) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 OJGQFYYLKNCIJD-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 266.105527694 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C16H14N2O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 266.29 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(C1=CC=C(C=C1)C2=CN3C=CC=CC3=N2)C(=O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(C1=CC=C(C=C1)C2=CN3C=CC=CC3=N2)C(=O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 54.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 266.105527694 20 1 0 1 0 0 0 0 1 -1