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Chemical ID: 4180124
Chemical ID:
4180124
Name [?]:
(2,5-dioxopyrrolidin-1-yl) pyridine-3-carboxylate
SMILES [?]:
c1cc(cnc1)C(=O)ON2C(=O)CCC2=O
InChi [?]:
InChI=1/C10H8N2O4/c13-8-3-4-9(14)12(8)16-10(15)7-2-1-5-11-6-7/h1-2,5-6H,3-4H2
InChi Info:
AuxInfo=1/0/N:1,2,13,14,6,4,3,11,15,7,5,10,12,16,8,9/E:(3,4)(8,9)(13,14)/rA:16nCCCCNCCOONCOCCCO/rB:s1;d2;s3;d4;d1s5;s3;d7;s7;s9;s10;d11;s11;s13;s10s14;d15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H8N2O4 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.37982 |
Area: | 384.738 |
Solvation: | -4.23863 |
Coulombic: | -37.7023 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 220.182 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | -0.58 |
LogP (Chemaxon): | -0.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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