Chemical ID: 4910697

C1CN2CC(=O)O[Ca]3(OC(=O)CN1CC(=O)O3)OC(=O)C2
Chemical ID:
4910697
Name [?]:
None
SMILES [?]:
C1CN2CC(=O)O[Ca]3(OC(=O)CN1CC(=O)O3)OC(=O)C2
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;+4/p-4
InChi Info:
AuxInfo=1/1/N:1,2,12,14,4,21,10,15,5,19,13,3,9,11,16,17,6,7,18,20;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:21nCCNCCOOCa4OCOCNCCOOOCOC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;d10;s10;s1s12;s13;s14;d15;s8s15;s8;s18;d19;s3s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12CaN2O8
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:0.0
Area:0.0
Solvation:0.0
Coulombic:0.0
Bond Count [?]
All:23
Single:19
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:328.289
H-Bond Donors:0
H-Bond Acceptors:10
XLogP:-1.14
LogP (Chemaxon):-1.25

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Descriptor Annotations

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