Chemical ID: 6382934

c1cc2c(cc1C(=O)O)C(=O)N(C2=O)CCCC(=O)O
Chemical ID:
6382934
Name [?]:
2-(3-carboxypropyl)-1,3-dioxo-isoindoline-5-carboxylic acid
SMILES [?]:
c1cc2c(cc1C(=O)O)C(=O)N(C2=O)CCCC(=O)O
InChi [?]:
InChI=1/C13H11NO6/c15-10(16)2-1-5-14-11(17)8-4-3-7(13(19)20)6-9(8)12(14)18/h3-4,6H,1-2,5H2,(H,15,16)(H,19,20)
InChi Info:
AuxInfo=1/1/N:16,17,1,2,15,5,6,3,4,18,13,10,7,12,19,20,14,11,8,9/E:(15,16)(19,20)/rA:20nCCCCCCCOOCONCOCCCCOO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;d10;s10;s3s12;d13;s12;s15;s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H11NO6
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.42431
Area:473.074
Solvation:-4.40255
Coulombic:-77.996
Bond Count [?]
All:21
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:277.23
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:0.65
LogP (Chemaxon):0.12

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