60791404 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 16 9 8 8 7 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 3 3 4 5 5 6 6 6 6 7 7 7 8 8 11 11 12 13 13 14 14 15 16 9 12 15 10 21 10 9 11 7 8 9 17 8 10 18 19 20 12 13 14 15 22 16 23 16 24 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 6 7 8 9 17 3 1 7 6 8 10 18 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 5.5443 2 9.4939 7.9939 5.5443 7.1279 7.9939 7.9939 6.1279 8.4939 4.5981 4.5981 3.732 3.732 2.866 2.866 6.9674 7.5555 8.6045 7.7819 9.8039 3.732 3.732 2.3291 -0.1887 1.616 -0.75 -1.616 1.4208 0.616 0.116 1.116 0.616 -0.75 1.116 0.116 1.616 -0.384 1.116 0.116 0.0172 -0.3224 1.2237 1.6986 -1.2869 2.236 -1.004 -0.194 8 8 8 8 3 3 8 8 8 8 8 8 1 1 5 5 6 7 11 11 12 13 14 15 9 12 9 11 9 10 12 13 14 15 16 16 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 314 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C072310040000000000000000000180000016000000030000000000000005801F000001F04000800000D0881D60830C9B2081208AC0124F24C0083F0A0610A3848983D3064980820B2E09191846008648000E8C807BC11020800000000000001000000000000000200000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(5-fluoro-1,3-benzothiazol-2-yl)cyclopropanecarboxylic acid IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(5-fluoro-1,3-benzothiazol-2-yl)-1-cyclopropanecarboxylic acid IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(5-fluoro-1,3-benzothiazol-2-yl)cyclopropane-1-carboxylic acid IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(5-fluoro-1,3-benzothiazol-2-yl)cyclopropane-1-carboxylic acid IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(5-fluoranyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxylic acid IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(5-fluoro-1,3-benzothiazol-2-yl)cyclopropanecarboxylic acid InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C11H8FNO2S/c12-5-1-2-9-8(3-5)13-10(16-9)6-4-7(6)11(14)15/h1-3,6-7H,4H2,(H,14,15) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 PRZWPQFONHBLBX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 237.02597783 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C11H8FNO2S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 237.25 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1C(C1C(=O)O)C2=NC3=C(S2)C=CC(=C3)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1C(C1C(=O)O)C2=NC3=C(S2)C=CC(=C3)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 78.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 237.02597783 16 2 0 2 0 0 0 0 1 -1