6420096 1 2 3 4 5 6 7 8 8 7 6 1 1 1 1 1 1 1 2 2 2 3 3 3 8 3 6 7 4 5 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 4.269 2.5369 3.403 3.0044 3.8015 2 2.5369 4.8059 -0.06 -0.06 -0.56 -1.035 -1.035 -0.37 0.56 -0.37 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4.8 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371800220000000000000000000000000000000000000000000000000000000000000000016001008000000000000060000004002000000000000000000000000000000800000010010000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 aminomethanol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 aminomethanol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 aminomethanol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 aminomethanol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 azanylmethanol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 aminomethanol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/CH5NO/c2-1-3/h3H,1-2H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 XMYQHJDBLRZMLW-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 47.037113783 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 CH5NO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 47.057 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(N)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(N)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 46.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 47.037113783 3 0 0 0 0 0 0 0 1 -1