66545863 1 2 3 4 5 6 7 8 9 10 40 22 6 6 6 1 1 1 1 1 4 -1 1 2 3 3 3 3 4 5 5 2 4 4 6 7 8 5 9 10 6 6 1 1 1 1 2 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 4.5981 3.732 2 2.866 2.866 2.31 1.4631 1.69 2.3291 3.403 0.25 0.75 0.75 0.25 -0.75 1.2869 1.06 0.2131 -1.06 -1.06 -1 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 14.4 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 00000371804000000000020001000000000000000000000000000000000000000000000000000018000000000008008000000200000000008000004200000000000000000000000000000000000001000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 prop-1-ene;titanium;zirconium IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1-propene;titanium;zirconium IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 prop-1-ene;titanium;zirconium IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 prop-1-ene;titanium;zirconium IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 prop-1-ene;titanium;zirconium IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 prop-1-ene;titanium;zirconium InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C3H5.Ti.Zr/c1-3-2;;/h1H2,2H3;;/q-1;; InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 UCFIPEMSUWEKIE-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 178.891765 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C3H5TiZr- Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 180.16 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C[C-]=C.[Ti].[Zr] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C[C-]=C.[Ti].[Zr] 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 2021.05.07 178.891765 5 0 0 0 0 0 0 0 3 -1