46507576 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 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 1 2 2 3 4 4 5 5 5 6 7 7 7 7 8 8 8 9 9 11 13 13 14 14 15 15 16 17 17 18 19 19 20 20 21 21 22 18 10 11 12 6 35 12 17 28 10 8 10 12 23 9 24 25 11 13 14 15 26 16 27 16 29 30 18 19 20 21 31 22 32 22 33 34 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 1 2 2 1 1 1 1 2 1 1 7 8 10 12 23 3 1 6 -1 4 10 7 2 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 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 8.9962 8.1301 8.9962 5.5321 5.0646 4.2675 2.9132 2.9132 5.8612 1.4643 1.4643 6.7272 9.5331 8.1301 9.5331 6.935 0.155 -1.845 -0.345 -2.845 1.155 -1.845 -0.345 0.155 -0.345 -1.345 -1.345 0.155 0.1897 -1.8797 -0.3242 -1.3658 1.655 1.155 2.655 1.655 3.155 2.655 0.275 0.6299 0.6299 0.8096 -2.4996 1.465 -0.0121 -1.6779 2.965 1.345 3.775 2.965 -3.155 3 8 8 8 8 8 8 8 8 8 8 8 8 7 9 9 11 13 14 15 17 17 18 19 20 21 12 11 13 14 15 16 16 18 19 20 21 22 22 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 443 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 00000371C07B3000040000000000000000000000000000000000346080000000000000914000001E02140800000D0E81982030C682D00400A80225725000820800212700088801366E880C2636C5B39BC63828E6F411C8E80798DCE2CE00000000000800100000000000100020000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2Z)-N-(2-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-2-hydroximino-chroman-3-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C16H13ClN2O3/c17-12-6-2-3-7-13(12)18-15(20)11-9-10-5-1-4-8-14(10)22-16(11)19-21/h1-8,11,21H,9H2,(H,18,20)/b19-16- InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 ILBFXYFIQCDXQO-MNDPQUGUSA-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 2021.05.07 316.0614700 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C16H13ClN2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 316.74 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1C(C(=NO)OC2=CC=CC=C21)C(=O)NC3=CC=CC=C3Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1C(/C(=N/O)/OC2=CC=CC=C21)C(=O)NC3=CC=CC=C3Cl 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 2021.05.07 316.0614700 22 1 0 1 1 1 0 0 1 -1