11985121 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 26 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 -1 3 -1 4 -1 5 -1 6 -1 7 -1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 4 4 5 5 6 7 7 7 8 8 9 9 10 10 11 2 3 4 5 6 7 8 9 10 11 3 4 12 5 13 6 14 6 15 16 8 9 17 10 18 11 19 11 20 21 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 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 3.2693 3.9489 3.2693 3.6893 2.5897 2.8492 3.6893 2.8492 3.9489 2.5897 3.2693 4.5385 3.2693 4.299 2 2.2351 4.2983 2.262 4.5385 2 3.2693 0.0158 1.2446 1.7384 0.4457 1.2446 0.4457 -0.4457 -0.4457 -1.2446 -1.2446 -1.7384 1.4362 2.3584 0.3331 1.4362 0.3606 -0.3296 -0.247 -1.4362 -1.4362 -2.3584 8 8 8 8 8 8 8 8 8 8 2 2 3 4 5 7 7 8 9 10 3 4 5 6 6 8 9 10 11 11 -6 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 68.8 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07000000000002000000000000012244890000000000000000000000000000000000018000000000008008000000000000000008000204200000000002000000808000000080800020001000000000000000880020000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cyclopenta-1,3-diene;cyclopentane;iron IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cyclopenta-1,3-diene;cyclopentane;iron IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cyclopenta-1,3-diene;cyclopentane;iron IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cyclopenta-1,3-diene;cyclopentane;iron IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cyclopenta-1,3-diene;cyclopentane;iron IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 cyclopenta-1,3-diene;cyclopentane;iron InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/2C5H5.Fe/c2*1-2-4-5-3-1;/h2*1-5H;/q-5;-1; InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 XISWFGALECMDCV-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 186.013186 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C10H10Fe-6 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 186.03 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [CH-]1[CH-][CH-][CH-][CH-]1.[CH-]1C=CC=C1.[Fe] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [CH-]1[CH-][CH-][CH-][CH-]1.[CH-]1C=CC=C1.[Fe] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 186.013186 11 0 0 0 0 0 0 0 3 -1