Chemical ID: 4087335

c1cc(c(cc1C(=O)O)NCCC(=O)O)C(=O)O
Chemical ID:
4087335
Name [?]:
2-(2-carboxyethylamino)benzene-1,4-dicarboxylic acid
SMILES [?]:
c1cc(c(cc1C(=O)O)NCCC(=O)O)C(=O)O
InChi [?]:
InChI=1/C11H11NO6/c13-9(14)3-4-12-8-5-6(10(15)16)1-2-7(8)11(17)18/h1-2,5,12H,3-4H2,(H,13,14)(H,15,16)(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,12,11,5,6,3,4,13,7,16,10,14,15,8,9,17,18/E:(13,14)(15,16)(17,18)/rA:18nCCCCCCCOONCCCOOCOO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;s10;s11;s12;d13;s13;s3;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11NO6
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.41167
Area:444.189
Solvation:-3.69306
Coulombic:-91.7587
Bond Count [?]
All:18
Single:12
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:253.208
H-Bond Donors:4
H-Bond Acceptors:7
XLogP:1.51
LogP (Chemaxon):0.85

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Descriptor Annotations

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