28858 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 17 16 8 8 7 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 2 2 3 3 4 5 5 6 6 6 8 8 9 9 9 10 11 11 12 12 13 13 14 14 15 7 10 16 24 16 7 8 7 11 12 9 10 16 17 18 19 13 20 14 21 15 22 15 23 1 1 1 1 1 2 2 1 1 2 1 1 2 1 1 1 1 1 1 2 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 3.2688 4.0778 2 3.5823 2.4598 3.2688 3.2688 2.7688 2.181 3.7688 4.1349 2.4028 4.1349 2.4028 3.2688 2.5878 1.667 1.7504 4.1333 4.6718 1.8659 4.6718 1.8659 2.2522 -4.3184 0.2694 3.752 3.0475 0.2694 -1.3184 -0.3184 1.2204 2.0295 1.2204 -1.8184 -1.8184 -2.8184 -2.8184 -3.3184 2.943 2.3762 1.5835 1.722 -1.5084 -1.5084 -3.1284 -3.1284 4.3184 8 8 8 8 8 8 8 8 8 8 8 2 2 5 5 6 6 8 11 12 13 14 7 10 7 8 11 12 10 13 14 15 15 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 256 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 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 00000371C072300044000000000000000000000000016000000030000000000000000001C000001E06000800000C0A85DE20B08992081208AC0324F24C0082F0A0610F380888353026980820BAA1971184600866C001A888071080000E04000000000000000800000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[2-(4-chlorophenyl)thiazol-4-yl]acetic acid IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[2-(4-chlorophenyl)-4-thiazolyl]acetic acid IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetic acid IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetic acid IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethanoic acid IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[2-(4-chlorophenyl)thiazol-4-yl]acetic acid InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C11H8ClNO2S/c12-8-3-1-7(2-4-8)11-13-9(6-16-11)5-10(14)15/h1-4,6H,5H2,(H,14,15) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 APBSKHYXXKHJFK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 252.9964274 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C11H8ClNO2S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 253.71 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC(=CC=C1C2=NC(=CS2)CC(=O)O)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC(=CC=C1C2=NC(=CS2)CC(=O)O)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 78.4 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 252.9964274 16 0 0 0 0 0 0 0 1 -1