439436 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 15 8 8 8 8 7 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 6 6 6 7 7 7 8 8 9 9 9 2 3 4 5 8 18 19 7 9 14 8 10 11 12 13 15 16 17 1 1 1 2 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 19 3.403 4.269 2.5369 2.903 3.903 6.8671 6.001 5.135 7.7331 6.3996 5.6025 4.7365 5.5335 6.8671 8.0431 8.27 7.4231 2 3.213 -0.2685 0.2315 -0.7685 0.5976 -1.1345 -0.2685 0.2315 -0.2685 0.2315 0.7065 0.7065 -0.7434 -0.7434 -0.8885 -0.3054 0.5415 0.7685 -0.4585 1.1345 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 110 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 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0423802000000000000000000000000000000000000000000000000000000000000001E00100820000000E18006020002C001100040000000800000000000000000800800000200000000000000000010001000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(methylamino)ethyl dihydrogen phosphate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(methylamino)ethyl dihydrogen phosphate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(methylamino)ethyl dihydrogen phosphate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(methylamino)ethyl dihydrogen phosphate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(methylamino)ethyl dihydrogen phosphate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(methylamino)ethyl dihydrogen phosphate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C3H10NO4P/c1-4-2-3-8-9(5,6)7/h4H,2-3H2,1H3,(H2,5,6,7) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 HZDCAHRLLXEQFY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -4.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 155.03474480 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C3H10NO4P Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 155.09 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CNCCOP(=O)(O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CNCCOP(=O)(O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 78.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 155.03474480 9 0 0 0 0 0 0 0 1 -1