69381018 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 15 8 8 8 8 7 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 4 6 6 6 7 7 8 8 9 10 11 11 12 2 3 5 7 18 19 9 20 10 16 17 8 9 10 13 11 12 12 14 15 1 1 2 1 1 1 1 1 1 1 1 1 2 2 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 4.269 4.269 5.269 2.5369 3.269 6.001 4.269 5.135 3.403 5.135 3.403 4.269 5.672 2.866 4.269 6.001 6.538 4.8059 5.579 2 1.155 2.155 1.155 0.155 1.155 -1.845 0.155 -0.345 -0.345 -1.345 -1.345 -1.845 -0.035 -1.655 -2.465 -2.465 -1.535 2.465 1.6919 -0.155 8 8 8 8 8 8 7 7 8 9 10 11 8 9 10 11 12 12 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 204 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0623802000000000000000000000000000000000000300000000000000000010000001E0810082000080C81900030C680400210804024424080820000202200088800066C8808262282919380700064D01108D807B040000000400000000000000080000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (5-amino-2-hydroxy-phenyl)phosphonic acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (5-amino-2-hydroxyphenyl)phosphonic acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (5-amino-2-hydroxyphenyl)phosphonic acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (5-amino-2-hydroxyphenyl)phosphonic acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (5-azanyl-2-oxidanyl-phenyl)phosphonic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (5-amino-2-hydroxy-phenyl)phosphonic acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C6H8NO4P/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3,8H,7H2,(H2,9,10,11) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 JYAUGOQIWSNTGJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -0.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 189.01909473 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C6H8NO4P Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 189.11 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC(=C(C=C1N)P(=O)(O)O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC(=C(C=C1N)P(=O)(O)O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 104 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 189.01909473 12 0 0 0 0 0 0 0 1 -1