10352 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 4 4 4 5 5 6 6 7 3 4 6 8 3 5 7 9 10 11 5 12 13 14 15 7 16 17 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 3 4 6 8 3 1 2 3 5 7 9 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 3.7147 3.9735 3.2369 2.342 2 5.1137 5.3725 3.7328 3.9595 3.5547 2.6238 1.7636 2.5765 1.8057 1.4142 5.4 5.9224 -0.6783 0.2877 1.2703 -1.2703 -0.3306 -1.1871 -0.2212 -1.298 -0.3322 1.8026 1.3622 -1.4936 -1.8442 0.2582 -0.5338 -1.737 0.0652 3 3 1 2 4 5 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 90.6 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 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 00000371C0600000000000000000000000000000000182000000200000000000000000000000001800000000000D008000000000000000008000204200000000002000000808000000080000020001000000000080000800030000000E00000000000000000000000000000001000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bicyclo[2.2.1]hept-2-ene IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bicyclo[2.2.1]hept-2-ene IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bicyclo[2.2.1]hept-2-ene IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bicyclo[2.2.1]hept-2-ene IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bicyclo[2.2.1]hept-2-ene IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bicyclo[2.2.1]hept-2-ene InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C7H10/c1-2-7-4-3-6(1)5-7/h1-2,6-7H,3-5H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 JFNLZVQOOSMTJK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 94.078250319 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C7H10 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 94.15 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CC2CC1C=C2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CC2CC1C=C2 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 94.078250319 7 2 0 2 0 0 0 0 1 -1