3387080 1 2 3 4 5 20 20 20 7 7 1 2 4 -1 5 -1 1 1 2 3 4 5 4 5 6 6 2 2 1 5 255 1 2 3 4 5 3.732 5.4641 2 4.5981 2.866 -0.25 -0.25 -0.25 0.25 0.25 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 6.9 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.408 Cactvs xemistry.com 2012.11.26 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.408 Cactvs xemistry.com 2012.11.26 0 Count Rotatable Bond 5 E_NROTBONDS 3.408 Cactvs xemistry.com 2012.11.26 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.408 Cactvs xemistry.com 2012.11.26 00000371000300000000080000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 calcium;azanidylidenecalcium IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 calcium;azanidylidenecalcium IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 calcium;azanidylidenecalcium IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 calcium;azanidylidenecalcium IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 calcium;amidylidenecalcium InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/3Ca.2N/q;;+2;2*-1 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 XCNGEWCFFFJZJT-UHFFFAOYSA-N Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 147.893921 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 Ca3N2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 148.2474 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 [N-]=[Ca].[N-]=[Ca].[Ca+2] SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 [N-]=[Ca].[N-]=[Ca].[Ca+2] Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 2 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 147.893921 5 0 0 0 0 0 0 0 3 1