23558125 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 8 7 6 6 6 6 6 6 1 1 1 1 1 1 1 1 2 1 1 1 2 2 2 2 3 3 4 4 5 5 6 6 7 7 8 16 3 13 14 15 4 5 6 9 7 10 8 11 8 12 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 2.866 2.866 2.866 2 3.732 2 3.732 2.866 1.4631 4.269 1.4631 4.269 2.866 3.486 2.246 2.3291 -2.155 1.845 0.845 0.345 0.345 -0.655 -0.655 -1.155 0.655 0.655 -0.965 -0.965 2.465 1.845 1.845 -2.465 8 8 8 8 8 8 3 3 4 5 6 7 4 5 6 7 8 8 1 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 66.9 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 2 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0622000000000000000000000000000000000000000300000000000000000010000001E0010080000080C81900030C680400200800024424000820000202200088800066C8808262282919380700064D01108D807B040000000400000000000000080000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 (4-hydroxyphenyl)ammonium IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 (4-hydroxyphenyl)ammonium IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 (4-hydroxyphenyl)azanium IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 (4-hydroxyphenyl)azanium IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 (4-hydroxyphenyl)ammonium InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2/p+1 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 PLIKAWJENQZMHA-UHFFFAOYSA-O Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 0 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 110.060589 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C6H8NO+ Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 110.13382 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC(=CC=C1[NH3+])O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC(=CC=C1[NH3+])O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 47.9 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 110.060589 8 0 0 0 0 0 0 0 1 2