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 7 7 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 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6.9 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371000300000000080000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 calcium;azanidylidenecalcium IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 calcium;azanidylidenecalcium IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 calcium;azanidylidenecalcium IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 calcium;azanidylidenecalcium IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 calcium;azanidylidenecalcium IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 calcium;amidylidenecalcium InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/3Ca.2N/q;;+2;2*-1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 XCNGEWCFFFJZJT-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 147.8939206 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 Ca3N2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 148.25 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [N-]=[Ca].[N-]=[Ca].[Ca+2] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 [N-]=[Ca].[N-]=[Ca].[Ca+2] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 147.8939206 5 0 0 0 0 0 0 0 3 -1