21083655 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 16 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 2 3 3 3 4 4 5 5 6 7 7 7 8 8 9 10 11 11 13 13 14 14 15 16 16 17 18 18 19 19 20 15 20 12 5 12 23 6 11 6 9 10 8 9 13 10 14 21 22 12 15 16 24 17 25 18 17 26 27 19 28 20 29 30 1 1 2 1 1 1 1 2 1 2 2 1 1 2 1 2 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 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 9.1113 8.1962 6.426 6.426 5.5321 5.5321 3.8 3.8 4.666 4.666 7.3321 7.3321 2.9061 2.9061 8.1962 2 2 8.2968 9.2742 9.7775 4.666 4.666 6.4188 2.9132 2.9132 1.4643 1.4643 7.8345 9.5242 10.3944 -0.3329 1.3122 1.3227 -0.7466 0.7881 -0.2119 0.7881 -0.2119 1.2881 -0.7119 -0.2328 0.8089 1.3227 -0.7466 -0.7361 0.8089 -0.2328 -1.731 -1.9427 -1.0786 1.9081 -1.3319 1.9427 1.9427 -1.3666 1.1209 -0.5448 -2.1441 -2.51 -1.0162 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 3 3 4 4 5 5 6 7 7 7 8 8 11 13 14 15 16 18 19 15 20 5 12 6 11 6 9 10 8 9 13 10 14 12 16 17 18 17 19 20 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 436 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07B2000400000000000000000000000000120000000306080000000000000C1D400001E04100000000C0885D800B0C1C2C00008AC0325725400830080210A104888192074980860B2E09591942008609400E8C8071888800E88000040001000201000008000200040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(2-thienyl)-1H-benzo[g]quinoxalin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-thiophen-2-yl-1H-benzo[g]quinoxalin-2-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-thiophen-2-yl-1<I>H</I>-benzo[g]quinoxalin-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-thiophen-2-yl-1H-benzo[g]quinoxalin-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-thiophen-2-yl-1H-benzo[g]quinoxalin-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(2-thienyl)-1H-benzo[g]quinoxalin-2-one InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C16H10N2OS/c19-16-15(14-6-3-7-20-14)17-12-8-10-4-1-2-5-11(10)9-13(12)18-16/h1-9H,(H,18,19) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 ZJYSAAMPMFZLMI-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 278.05138412 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C16H10N2OS Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 278.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C=C3C(=CC2=C1)NC(=O)C(=N3)C4=CC=CS4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C=C3C(=CC2=C1)NC(=O)C(=N3)C4=CC=CS4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 69.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 278.05138412 20 0 0 0 0 0 0 0 1 -1