20264318 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 25 17 8 8 8 8 7 6 6 6 6 1 1 1 1 1 1 1 2 3 -1 5 -1 2 3 4 5 6 7 7 7 8 8 8 9 9 9 17 10 10 11 11 8 15 16 9 10 12 11 13 14 1 1 2 1 2 1 1 1 1 1 1 1 1 1 8 7 9 10 12 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 3.5006 1.2503 2.7188 1.1204 3.5006 2.9413 0.31 1.31 1.7439 1.7439 2.7188 0.9801 1.7439 1.1394 0 0 2.2503 1.1828 5.7812 0.5593 0 2.1828 3.7812 1.6828 1.6828 2.5838 0.7818 2.8063 2.2078 3.2038 2.7217 2.2197 1.1459 5.7812 3 8 7 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 122 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 0000037180623800040000400000000000000000000000000000000000000000000000000000001E00100000000828C180040008004000000800009008000000000000000000818000000200180000000000000610000000004300000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 manganous;2-aminobutanedioate;hydrochloride IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-aminobutanedioate;manganese(2+);hydrochloride IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-aminobutanedioate;manganese(2+);hydrochloride IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-aminobutanedioate;manganese(2+);hydrochloride IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-azanylbutanedioate;manganese(2+);hydrochloride IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 manganous;2-aminosuccinate;hydrochloride InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C4H7NO4.ClH.Mn/c5-2(4(8)9)1-3(6)7;;/h2H,1,5H2,(H,6,7)(H,8,9);1H;/q;;+2/p-2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 BYYLKXQFVZKTFT-UHFFFAOYSA-L Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 221.936578 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C4H6ClMnNO4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 222.48 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C(C(C(=O)[O-])N)C(=O)[O-].Cl.[Mn+2] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C(C(C(=O)[O-])N)C(=O)[O-].Cl.[Mn+2] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 106 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 221.936578 11 1 0 1 0 0 0 0 3 -1