22720172 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 8 8 7 7 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 4 5 5 5 6 6 5 11 6 12 13 14 15 16 17 18 6 7 8 9 10 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 3.135 0.5369 1.836 1.836 2.269 1.403 2.6675 1.8705 1.0044 1.8015 3.672 0 2.3729 1.299 1.836 2.3729 1.299 1.836 0.4749 0.9749 4.0699 6.9999 0.9749 0.4749 1.4499 1.4499 0 0 0.7849 0.6649 4.3799 4.3799 3.4499 7.3099 7.3099 6.3799 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C0433000000000000000000000000000000000000000000000000000000000000000001A00100800000000A080020000000002000000000000000000000000000000000000000110000000000000000000000100000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 ammonia;ethylene glycol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 ammonia;ethane-1,2-diol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 azane;ethane-1,2-diol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 azane;ethane-1,2-diol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 azane;ethane-1,2-diol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 ammonia;ethylene glycol InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C2H6O2.2H3N/c3-1-2-4;;/h3-4H,1-2H2;2*1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 JZHUDAOIPJBZQY-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 96.089877630 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C2H12N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 96.13 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C(CO)O.N.N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C(CO)O.N.N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 42.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 96.089877630 6 0 0 0 0 0 0 0 3 -1