46507578 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 35 17 17 8 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 2 3 3 4 5 5 6 6 6 7 8 8 8 8 9 9 9 10 10 12 14 14 15 15 16 16 17 18 18 19 20 20 21 22 22 23 19 21 11 12 13 7 35 13 18 29 11 9 11 13 24 10 25 26 12 14 15 16 27 17 28 17 30 31 19 20 22 21 32 23 23 33 34 1 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 1 2 1 1 2 1 1 2 1 1 8 9 11 13 24 3 1 7 -1 5 11 8 3 2 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 35 8.1301 8.1301 4.666 7.2641 6.3981 6.3981 6.3981 5.5321 4.666 3.8 5.5321 3.8 6.3981 2.9061 2.9061 2 2 7.2641 8.1301 7.2641 8.1301 8.9962 8.9962 5.5321 5.0646 4.2675 2.9132 2.9132 5.8612 1.4643 1.4643 6.7272 9.5331 9.5331 6.935 -0.345 3.655 -2.345 -0.845 -3.345 0.655 -2.345 -0.845 -0.345 -0.845 -1.845 -1.845 -0.345 -0.3103 -2.3797 -0.8242 -1.8658 1.155 0.655 2.155 2.655 1.155 2.155 -0.225 0.1299 0.1299 0.3096 -2.9996 0.965 -0.5121 -2.1779 2.465 0.845 2.465 -3.655 3 8 8 8 8 8 8 8 8 8 8 8 8 8 10 10 12 14 15 16 18 18 19 20 21 22 13 12 14 15 16 17 17 19 20 22 21 23 23 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 474 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 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 00000371C07B3000060000000000000000000000000000000000346080000000000000914000001E02140800000D0E81982030C682D00400A80225725000820800212700088801366E880C2636C5B39BC63828E6F411C8E80798DCE2CE00001000020800100000200004100020000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2Z)-N-(2,5-dichlorophenyl)-2-hydroxyimino-chromane-3-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2Z)-N-(2,5-dichlorophenyl)-2-hydroxyimino-3,4-dihydro-2H-1-benzopyran-3-carboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2<I>Z</I>)-<I>N</I>-(2,5-dichlorophenyl)-2-hydroxyimino-3,4-dihydrochromene-3-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2Z)-N-(2,5-dichlorophenyl)-2-hydroxyimino-3,4-dihydrochromene-3-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2Z)-N-[2,5-bis(chloranyl)phenyl]-2-hydroxyimino-3,4-dihydrochromene-3-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2Z)-N-(2,5-dichlorophenyl)-2-hydroximino-chroman-3-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C16H12Cl2N2O3/c17-10-5-6-12(18)13(8-10)19-15(21)11-7-9-3-1-2-4-14(9)23-16(11)20-22/h1-6,8,11,22H,7H2,(H,19,21)/b20-16- InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 IPMAWLXLSHXEHL-SILNSSARSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 350.0224976 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C16H12Cl2N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 351.2 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1C(C(=NO)OC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)Cl)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1C(/C(=N/O)/OC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)Cl)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 70.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 350.0224976 23 1 0 1 1 1 0 0 1 -1