6432003 1 2 3 6 6 6 2 1 3 -1 2 3 1 1 2 3 1 3 1 5 255 1 2 3 2.866 3.732 2 0 0.5 -0.5 0 Compound Canonicalized 5 2015.09.10 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 19.7 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 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 00000371004000000000000000000000000000000000000000000000000000000000000000000008000000000008000000000000000000004010000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C3/c1-3-2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 NVLRFXKSQQPKAD-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 0.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 36 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 36.03 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 [C-]#C[C+] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 [C-]#C[C+] 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 36 3 0 0 0 0 0 0 0 1 -1