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Chemical ID: 5263341
Chemical ID:
5263341
Name [?]:
None
SMILES [?]:
C1C[N+]23CC(=O)O[Ca]245([N+]1(CC(=O)O4)CC(=O)O5)OC(=O)C3
InChi [?]:
InChI=1/C10H16N2O8.Ca/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);/q;+6/p-4
InChi Info:
AuxInfo=1/1/N:1,2,10,14,4,21,11,15,5,19,9,3,12,13,16,17,6,7,18,20;8/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14,15,16,17,18,19,20);/gE:(1,2,3,4);/rA:21nCCN+CCOOCa6N+CCOOCCOOOCOC/rB:s1;s2;s3;s4;d5;s5;s3s7;s1s8;s9;s10;d11;s8s11;s9;s14;d15;s8s15;s8;s18;d19;s3s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12CaN2O8+2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 21.7121 |
Area: | 0.0 |
Solvation: | 21.7121 |
Coulombic: | 0.0 |
Bond Count [?]
All: | 25 |
Single: | 21 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 328.289 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 10 |
XLogP: | -3.63 |
LogP (Chemaxon): | -8.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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