2327 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 8 8 8 8 8 7 7 7 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 2 2 3 3 4 5 5 6 6 6 7 7 8 8 8 9 9 9 10 10 11 11 11 12 14 14 15 15 16 17 17 12 30 15 31 16 32 13 18 33 7 9 22 13 24 11 28 29 10 19 20 12 14 13 15 21 16 17 23 25 26 18 18 27 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 2 1 1 11 8 13 15 21 3 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 4.269 10.3312 2.5369 8.5991 2.5369 6.8671 7.7331 10.3312 6.001 5.135 9.4651 4.269 8.5991 5.135 9.4651 3.403 4.269 3.403 6.3996 5.6025 10.0021 6.8671 5.672 7.7331 9.2531 8.8546 4.269 10.8681 10.3312 3.732 10.3312 2 2.5369 1.25 1.75 0.25 -1.25 -1.75 -0.25 0.25 -0.25 0.25 -0.25 0.25 0.25 -0.25 -1.25 1.25 -0.25 -1.75 -1.25 0.7249 0.7249 0.56 -0.87 -1.56 0.87 1.8326 1.1423 -2.37 0.06 -0.87 1.56 2.37 -0.06 -2.37 8 8 3 8 8 8 8 10 10 11 12 14 16 17 12 14 8 16 17 18 18 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 278 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 7 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 7 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0733800000000000000000000000000000000000000300000000000000000010000001E00180800000C2CE198063006806202008802215210008200002020021AA881868C880B772682911380700167F015099807B0F0340E20000108000840004000021000108000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-amino-3-hydroxy-N'-[(2,3,4-trihydroxyphenyl)methyl]propanehydrazide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-amino-3-hydroxy-N'-[(2,3,4-trihydroxyphenyl)methyl]propanehydrazide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-amino-3-hydroxy-<I>N</I>&apos;-[(2,3,4-trihydroxyphenyl)methyl]propanehydrazide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-amino-3-hydroxy-N'-[(2,3,4-trihydroxyphenyl)methyl]propanehydrazide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-azanyl-3-oxidanyl-N'-[[2,3,4-tris(oxidanyl)phenyl]methyl]propanehydrazide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-amino-3-hydroxy-N'-(2,3,4-trihydroxybenzyl)propionohydrazide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C10H15N3O5/c11-6(4-14)10(18)13-12-3-5-1-2-7(15)9(17)8(5)16/h1-2,6,12,14-17H,3-4,11H2,(H,13,18) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 BNQDCRGUHNALGH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -1.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 257.10117059 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C10H15N3O5 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 257.24 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC(=C(C(=C1CNNC(=O)C(CO)N)O)O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC(=C(C(=C1CNNC(=O)C(CO)N)O)O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 148 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 257.10117059 18 1 0 1 0 0 0 0 1 -1