Chemical ID: 4514896

Cc1nccn1C(=O)c2cc(ccc2C(=O)O)C(=O)O
Chemical ID:
4514896
Name [?]:
2-(2-methylimidazol-1-yl)carbonylterephthalic acid
SMILES [?]:
Cc1nccn1C(=O)c2cc(ccc2C(=O)O)C(=O)O
InChi [?]:
InChI=1/C13H10N2O5/c1-7-14-4-5-15(7)11(16)10-6-8(12(17)18)2-3-9(10)13(19)20/h2-6H,1H3,(H,17,18)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,12,13,4,5,10,2,11,14,9,7,18,15,3,6,8,19,20,16,17/E:(17,18)(19,20)/rA:20nCCNCCNCOCCCCCCCOOCOO/rB:s1;d2;s3;d4;s2s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s14;d15;s15;s11;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10N2O5
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:6.55374
Area:437.562
Solvation:-4.3853
Coulombic:-72.9615
Bond Count [?]
All:21
Single:13
Double:8
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:274.229
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:0.52
LogP (Chemaxon):-0.68

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