57759207 1 2 3 4 22 22 22 22 1 1 2 2 3 4 6 6 6 1 5 255 1 2 3 4 2.866 3.732 2 4.5981 -0.25 0.25 0.25 -0.25 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 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 00000371000000000000020000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 titanium IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 titanium IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 titanium IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 titanium IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 titanium IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 titanium InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/4Ti InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 KZSANQWSFFXRLM-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 191.791763 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 Ti4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 191.47 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 [Ti].[Ti].[Ti].[Ti] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 [Ti].[Ti].[Ti].[Ti] 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 2021.05.07 191.791763 4 0 0 0 0 0 0 0 4 -1