Chemical ID: 4180124

c1cc(cnc1)C(=O)ON2C(=O)CCC2=O
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

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Descriptor Annotations

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