54186476 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 16 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 4 4 5 5 6 6 7 8 8 8 9 11 12 12 13 13 14 14 15 16 17 17 18 18 19 20 20 20 6 9 11 20 10 15 31 7 9 7 12 13 10 11 14 10 17 15 21 16 22 18 23 16 24 19 25 19 26 27 28 29 30 1 1 1 1 2 1 1 1 2 2 1 1 1 1 2 1 2 2 1 2 1 1 1 1 1 1 1 2 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 6.0812 6.6648 8.1648 2.5369 6.0812 5.135 5.135 8.1648 6.6648 7.6648 7.6648 4.269 4.269 9.1648 3.403 3.403 8.1648 9.6648 9.1648 6.1648 4.269 4.269 9.4748 2.866 7.8548 10.2848 9.4748 5.6279 5.8548 6.7018 2 1.6038 -0.933 1.6651 1.799 -0.0057 1.299 0.299 -0.067 0.799 0.799 -0.933 1.799 -0.201 -0.067 1.299 0.299 -1.799 -0.933 -1.799 -1.799 2.419 -0.821 0.4699 -0.011 -2.336 -0.933 -2.336 -1.489 -2.336 -2.109 1.489 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 5 5 6 6 7 8 8 11 12 13 14 15 17 18 6 9 7 9 7 12 13 11 14 17 15 16 18 16 19 19 0 Compound Canonicalized 5 2011.09.13 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 365 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C072300040000000000000000000000000016000000030600000000000005801F400001E04000800000C0C81DE0232C7B2081608AC03A472440083F8A0672A3848983DB66CD80C26B6E6B5BB84716864E011E8F987B8C8A08E00400004000801000080000800100200000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (6-hydroxy-1,3-benzothiazol-2-yl)-(2-methoxyphenyl)methanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (6-hydroxy-1,3-benzothiazol-2-yl)-(2-methoxyphenyl)methanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (6-hydroxy-1,3-benzothiazol-2-yl)-(2-methoxyphenyl)methanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (6-hydroxy-1,3-benzothiazol-2-yl)-(2-methoxyphenyl)methanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2-methoxyphenyl)-(6-oxidanyl-1,3-benzothiazol-2-yl)methanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (6-hydroxy-1,3-benzothiazol-2-yl)-(2-methoxyphenyl)methanone InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C15H11NO3S/c1-19-12-5-3-2-4-10(12)14(18)15-16-11-7-6-9(17)8-13(11)20-15/h2-8,17H,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 PFLICOLNSNFLEC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 285.04596439 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C15H11NO3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 285.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=CC=C1C(=O)C2=NC3=C(S2)C=C(C=C3)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=CC=C1C(=O)C2=NC3=C(S2)C=C(C=C3)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 87.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 285.04596439 20 0 0 0 0 0 0 0 1 -1