6897897 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 17 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 1 1 2 2 3 3 4 4 5 6 6 6 7 7 8 8 9 10 10 11 11 11 12 13 14 15 15 16 16 17 17 18 19 20 20 20 14 6 7 9 20 5 34 19 8 21 22 9 10 14 15 12 13 23 12 13 19 24 25 16 17 26 18 27 18 28 29 30 31 32 33 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 1 2 1 2 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 5 -1 4 19 11 30 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 32 33 34 3.732 4.5981 2.866 5.4641 5.4641 5.4641 4.5981 5.4641 3.732 5.4641 4.5981 3.732 5.4641 4.5981 6.3301 4.5981 6.3301 5.4641 4.5981 2 5.6762 6.0747 6.001 3.1951 6.001 6.8671 4.0611 6.8671 5.4641 4.0611 1.69 1.4631 2.31 6.001 2.655 1.155 0.155 -4.345 -3.345 1.655 0.155 2.655 -0.345 -0.345 -1.845 -1.345 -1.345 3.155 3.155 4.155 4.155 4.655 -2.845 -0.345 1.0724 1.7627 -0.035 -1.655 -1.655 2.845 4.465 4.465 5.275 -3.155 0.1919 -0.655 -0.8819 -4.655 8 8 8 8 8 8 8 8 8 8 8 8 7 7 8 8 9 10 11 11 14 15 16 17 9 10 14 15 12 13 12 13 16 17 18 18 0 Compound Canonicalized 5 2019.01.04 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 4 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C0723000040000000000000000000000000000000000306000000000000000014000001E02040800000C06E19826320680100400A00230630000020800202500088800268A980D26A285331A823822A4C0110AA80780C0300E20000100000140004000020000028000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (1E)-4-[(2-chlorophenyl)methoxy]-3-methoxy-benzaldehyde oxime IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (1E)-4-[(2-chlorophenyl)methoxy]-3-methoxybenzaldehyde oxime IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (<I>N</I><I>E</I>)-<I>N</I>-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (NE)-N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (NE)-N-[[4-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]methylidene]hydroxylamine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (1E)-4-(2-chlorobenzyl)oxy-3-methoxy-benzaldoxime InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C15H14ClNO3/c1-19-15-8-11(9-17-18)6-7-14(15)20-10-12-4-2-3-5-13(12)16/h2-9,18H,10H2,1H3/b17-9+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 KRTDFHGFQAZYDV-RQZCQDPDSA-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 2021.05.07 291.0662210 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C15H14ClNO3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 291.73 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=C(C=CC(=C1)C=NO)OCC2=CC=CC=C2Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=C(C=CC(=C1)/C=N/O)OCC2=CC=CC=C2Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 51 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 291.0662210 20 0 0 0 1 1 0 0 1 -1