27697957 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 36 37 38 8 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 1 1 1 1 2 2 3 4 5 5 5 6 6 7 7 7 8 9 9 10 10 11 11 11 12 12 12 13 13 13 14 14 15 16 19 19 20 20 21 21 22 8 11 16 38 18 17 6 18 33 17 34 8 9 13 10 14 23 15 26 17 24 25 16 18 19 27 28 29 15 30 31 20 21 32 22 35 22 36 37 1 1 1 1 2 2 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 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 31 32 33 34 35 36 37 38 6.8671 2.5369 3.403 6.8671 5.135 5.135 7.7331 6.8671 7.7331 6.001 6.001 4.269 8.5991 6.8671 6.001 3.403 6.001 4.269 5.135 3.403 5.135 4.269 8.27 5.789 5.3905 5.4641 8.2891 9.136 8.9091 6.8671 5.4641 5.672 5.672 4.5981 2.866 5.672 4.269 2 1.75 -2.75 -1.25 -0.25 -1.25 -0.25 3.25 2.75 4.25 3.25 1.25 -2.75 2.75 4.75 4.25 -3.25 0.25 -1.75 -3.25 -4.25 -4.25 -4.75 4.56 1.8326 1.1423 2.94 2.2131 2.44 3.2869 5.37 4.56 -2.94 -1.56 0.06 -4.56 -4.56 -5.37 -3.06 8 8 8 8 8 8 8 8 8 8 8 8 7 7 8 9 10 12 12 14 16 19 20 21 8 9 10 14 15 16 19 15 20 21 22 22 0 Compound Canonicalized 5 2009.05.18 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 388 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B3800000000000000000000000000000000000000306000000000000000014000001E00180800000C04A198023206806206008802215210028208002420021AA801460CC80E263686B51F837960E6F01108B98798C8208E00000000000800000000000000100000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-hydroxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-hydroxy-N'-[2-(2-methylphenoxy)-1-oxoethyl]benzohydrazide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-hydroxy-<I>N</I>&apos;-[2-(2-methylphenoxy)acetyl]benzohydrazide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-hydroxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N'-[2-(2-methylphenoxy)ethanoyl]-2-oxidanyl-benzohydrazide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-hydroxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C16H16N2O4/c1-11-6-2-5-9-14(11)22-10-15(20)17-18-16(21)12-7-3-4-8-13(12)19/h2-9,19H,10H2,1H3,(H,17,20)(H,18,21) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 YGLNTWOPOUABKA-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 300.11100700 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C16H16N2O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 300.31 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC=CC=C1OCC(=O)NNC(=O)C2=CC=CC=C2O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC=CC=C1OCC(=O)NNC(=O)C2=CC=CC=C2O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 87.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 300.11100700 22 0 0 0 0 0 0 0 1 -1