Chemical ID: 5139241

c1cc(c(c(c1C(=O)O)C(=O)O)N)C(=O)O
Chemical ID:
5139241
Name [?]:
3-aminobenzene-1,2,4-tricarboxylic acid
SMILES [?]:
c1cc(c(c(c1C(=O)O)C(=O)O)N)C(=O)O
InChi [?]:
InChI=1/C9H7NO6/c10-6-4(8(13)14)2-1-3(7(11)12)5(6)9(15)16/h1-2H,10H2,(H,11,12)(H,13,14)(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,7,14,10,13,8,9,15,16,11,12/E:(11,12)(13,14)(15,16)/rA:16nCCCCCCCOOCOONCOO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s5;d10;s10;s4;s3;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H7NO6
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:5.60092
Area:371.28
Solvation:-3.68108
Coulombic:-96.6923
Bond Count [?]
All:16
Single:10
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:225.155
H-Bond Donors:5
H-Bond Acceptors:7
XLogP:1.12
LogP (Chemaxon):1.11

Name Annotations

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Descriptor Annotations

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