10345 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 8 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 4 4 5 5 5 6 6 7 7 7 8 4 5 7 9 4 6 8 10 11 12 6 13 14 15 16 8 17 18 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 4 5 7 9 3 1 3 4 6 8 10 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 5.6137 3.9735 3.7147 3.2369 2 2.342 5.3725 5.1137 3.9595 3.7328 3.5547 2.6238 1.8057 1.4142 1.7636 2.5765 5.9664 5.5674 -1.6617 0.6791 -0.2868 1.6617 0.0608 -0.8789 0.1703 -0.7957 0.0592 -0.9066 2.194 1.7536 0.6496 -0.1424 -1.1022 -1.4528 -0.0075 0.7588 3 3 2 3 5 6 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 128 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 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 00000371C0602000000000000000000000000000000183000000300000000000000000000000001A00000000000D048080000000000000000800801000000000000000000000010000000000120000000000000000000000010888008E00000000000000000000000000000001000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 norbornan-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-bicyclo[2.2.1]heptanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bicyclo[2.2.1]heptan-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bicyclo[2.2.1]heptan-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bicyclo[2.2.1]heptan-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 norbornan-2-one InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C7H10O/c8-7-4-5-1-2-6(7)3-5/h5-6H,1-4H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 KPMKEVXVVHNIEY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 110.073164938 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C7H10O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 110.15 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CC2CC1CC2=O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CC2CC1CC2=O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 17.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 110.073164938 8 2 0 2 0 0 0 0 1 -1