23342 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 15 8 8 8 8 7 7 7 6 6 6 6 1 1 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 10 10 11 11 11 2 3 4 5 10 23 24 9 11 12 12 20 21 12 22 10 13 14 15 16 17 18 19 1 1 1 2 1 1 1 1 1 1 1 1 1 2 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 20 21 22 23 24 3.403 4.269 2.5369 2.903 3.903 6.8671 8.5991 7.7331 6.001 5.135 6.8671 7.7331 6.3996 5.6025 4.7365 5.5335 6.2471 6.8671 7.4871 9.136 8.5991 8.27 2 3.213 -0.405 0.095 -0.905 0.461 -1.271 -0.405 -0.405 1.095 0.095 -0.405 -1.405 0.095 0.5699 0.5699 -0.8799 -0.8799 -1.405 -2.025 -1.405 -0.095 -1.025 1.405 -0.595 0.998 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 203 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0633802000000000000000000000000000000000000000000000000000000000000001E00100820000000E180060300034001102040000020800000008000000100000800008200000008000000000000021000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[carbamimidoyl(methyl)amino]ethyl dihydrogen phosphate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[carbamimidoyl(methyl)amino]ethyl dihydrogen phosphate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[carbamimidoyl(methyl)amino]ethyl dihydrogen phosphate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[carbamimidoyl(methyl)amino]ethyl dihydrogen phosphate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[carbamimidoyl(methyl)amino]ethyl dihydrogen phosphate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[amidino(methyl)amino]ethyl dihydrogen phosphate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C4H12N3O4P/c1-7(4(5)6)2-3-11-12(8,9)10/h2-3H2,1H3,(H3,5,6)(H2,8,9,10) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 FOIPWTMKYXWFGC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -2.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 197.05654287 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C4H12N3O4P Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 197.13 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN(CCOP(=O)(O)O)C(=N)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN(CCOP(=O)(O)O)C(=N)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 120 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 197.05654287 12 0 0 0 0 0 0 0 1 -1