50935685 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 29 17 17 8 7 7 7 7 7 7 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 7 1 1 1 4 5 5 5 6 6 7 7 8 8 9 9 10 10 10 11 12 13 13 13 14 14 14 16 2 3 15 6 13 14 7 17 11 18 11 16 12 16 15 26 27 12 15 19 20 21 22 23 24 25 1 1 2 1 1 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 7 6 18 11 8 12 3 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 25 26 27 2.6809 3.547 1.8149 1.1249 3.9589 3.9589 3.0929 3.9019 2.5929 0.5897 3.0929 2.2839 4.8249 3.0929 1.3328 3.5929 4.4958 2.5559 5.1349 5.3619 4.5149 3.4029 2.5559 2.7829 3.9573 0 0.7186 0 0.5 0.5 5.2398 7.0404 6.0404 5.5404 3.9526 3.0016 3.5925 4.5404 3.9526 7.5404 7.5404 4.2617 3.0016 5.7304 5.8504 7.0035 7.8504 8.0774 8.0774 7.8504 7.0035 2.5 3.7841 2.9861 1 7 11 1 Compound Canonicalized 5 2011.01.31 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 305 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C063A000060000040000000000000000000100000000000000000000000000000000001E001800000008080180040300026200002801033134000000018000020020012800000000080040000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (5-carbamoylimidazol-4-ylidene)-(2,2-dimethylhydrazino)ammonium;dichlorocopper IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (5-carbamoyl-4-imidazolylidene)-(2,2-dimethylhydrazinyl)ammonium;dichlorocopper IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (5-carbamoylimidazol-4-ylidene)-(2,2-dimethylhydrazinyl)azanium;dichlorocopper IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (5-carbamoylimidazol-4-ylidene)-(2,2-dimethylhydrazinyl)azanium;dichlorocopper IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (5-aminocarbonylimidazol-4-ylidene)-(2,2-dimethylhydrazinyl)azanium;bis(chloranyl)copper IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (5-carbamoylimidazol-4-ylidene)-(N',N'-dimethylhydrazino)ammonium;dichlorocopper InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C6H10N6O.2ClH.Cu/c1-12(2)11-10-6-4(5(7)13)8-3-9-6;;;/h3,11H,1-2H3,(H2,7,13);2*1H;/q;;;+2/p-1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 KMSFWRWTRKCAAV-UHFFFAOYSA-M Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 315.966737 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C6H11Cl2CuN6O+ Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 317.64 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CN(C)N[NH+]=C1C(=NC=N1)C(=O)N.Cl[Cu]Cl SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CN(C)N[NH+]=C1C(=NC=N1)C(=O)N.Cl[Cu]Cl Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 97 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 315.966737 16 0 0 0 1 0 1 0 2 -1