24199707 1 2 3 4 5 6 7 8 9 10 11 12 13 25 6 6 6 6 6 6 6 6 6 6 1 1 2 -1 3 -1 4 -1 5 -1 6 -1 7 -1 8 -1 9 -1 10 -1 11 -1 2 2 2 3 3 3 4 5 6 7 8 10 4 5 12 6 7 13 8 9 10 11 9 11 1 1 1 1 1 1 2 2 2 2 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 4.1771 0.809 4.4271 0 1.618 3.618 5.2361 0.309 1.309 3.927 4.9271 0.809 4.4271 0 2.7888 4.0388 2.2011 2.2011 3.4511 3.4511 1.25 1.25 2.5 2.5 3.4088 4.6588 8 8 8 8 8 8 8 8 8 8 2 2 3 3 4 5 6 7 8 10 4 5 6 7 8 9 10 11 9 11 -10 Compound Canonicalized 5 2008.02.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 58.1 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 10 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 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 00000371007000000000004000000000000000000001020000000000000000000000000000000018000000000008008000000000000000008000004000000000002000000008000000080800000000000000000000000880020000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 cyclopenta-1,3-diene;manganese IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 cyclopenta-1,3-diene;manganese IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 cyclopenta-1,3-diene;manganese IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 cyclopenta-1,3-diene;manganese IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 cyclopenta-1,3-diene;manganese IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 cyclopenta-1,3-diene;manganese InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/2C5H.Mn/c2*1-2-4-5-3-1;/h2*1H;/q2*-5; InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 HDTBMGOTBXMORT-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 176.953693 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C10H2Mn-10 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 177.06 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 [CH-]1[C-]=[C-][C-]=[C-]1.[CH-]1[C-]=[C-][C-]=[C-]1.[Mn] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 [CH-]1[C-]=[C-][C-]=[C-]1.[CH-]1[C-]=[C-][C-]=[C-]1.[Mn] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 176.953693 11 0 0 0 0 0 0 0 3 -1