Chemical ID: 6329420

c1cc(c(cc1C(=O)O)N)C(=O)O
Chemical ID:
6329420
Name [?]:
2-aminobenzene-1,4-dicarboxylic acid
SMILES [?]:
c1cc(c(cc1C(=O)O)N)C(=O)O
InChi [?]:
InChI=1/C8H7NO4/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,3,4,7,11,10,8,9,12,13/E:(10,11)(12,13)/rA:13nCCCCCCCOONCOO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;s3;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7NO4
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.88967
Area:337.246
Solvation:-2.54147
Coulombic:-71.2748
Bond Count [?]
All:13
Single:8
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:181.146
H-Bond Donors:4
H-Bond Acceptors:5
XLogP:1.08
LogP (Chemaxon):0.95

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Descriptor Annotations

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