10855382 1 2 3 4 5 6 7 8 9 10 11 17 7 7 7 6 1 1 1 1 1 1 1 -1 2 1 2 2 2 2 3 3 3 4 4 5 6 7 8 5 9 10 5 11 1 1 1 1 1 1 1 2 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 1.153 2.269 0.5369 1.403 1.403 2.8059 2.579 1.959 0 0.5369 0.866 0 4.31 4.31 2.81 3.81 4.62 3.7731 4.8469 4 4.93 2.5 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 30.3 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 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 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371800300000400000000000000000000000000000000000000000000000000000000000004001000000000000000000100004000002000000020000000008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 carbamimidoylammonium;chloride IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 carbamimidoylammonium;chloride IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 carbamimidoylazanium;chloride IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 carbamimidoylazanium;chloride IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 carbamimidoylazanium;chloride IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 amidinoammonium;chloride InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/CH5N3.ClH/c2-1(3)4;/h(H5,2,3,4);1H InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 PJJJBBJSCAKJQF-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 95.0250249 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 CH6ClN3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 95.53 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C(=N)([NH3+])N.[Cl-] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C(=N)([NH3+])N.[Cl-] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 77.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 95.0250249 5 0 0 0 0 0 0 0 2 -1