137443 1 2 3 4 5 6 7 8 9 10 6 6 6 6 6 1 1 1 1 1 1 2 1 1 1 2 2 3 3 4 4 5 2 3 6 4 7 5 8 5 9 10 1 1 1 2 1 2 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 2.809 2 3.618 2.309 3.309 2.809 1.4103 4.2077 1.9446 3.6734 0.7694 0.1816 0.1816 -0.7694 -0.7694 1.3894 0.3732 0.3732 -1.271 -1.271 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 38.1 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 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 00000371806000000000000000000000000000000001000000000000000000000000000000000018000000000008008000000000000000008000204200000000002000000808000000080800000001000000000000000880020000000000000000000000000000000000000000000000000000 InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C5H5/c1-2-4-5-3-1/h1-5H InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 HPYIUKIBUJFXII-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 65.0391251595 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C5H5 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 65.09 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=C[CH]C=C1 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=C[CH]C=C1 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 65.0391251595 5 0 0 0 0 0 0 0 1 -1