Chemical ID: 5656295

c1cc2c(c(c1)N(=O)=O)C(=O)N(C2=O)CC(=O)O
Chemical ID:
5656295
Name [?]:
2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetic acid
SMILES [?]:
c1cc2c(c(c1)N(=O)=O)C(=O)N(C2=O)CC(=O)O
InChi [?]:
InChI=1/C10H6N2O6/c13-7(14)4-11-9(15)5-2-1-3-6(12(17)18)8(5)10(11)16/h1-3H,4H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,15,3,5,16,4,13,10,12,7,17,18,14,11,8,9/E:(13,14)(17,18)/CRV:12.5/rA:18nCCCCCCNOOCONCOCCOO/rB:s1;d2;s3;d4;d1s5;s5;d7;d7;s4;d10;s10;s3s12;d13;s12;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H6N2O6
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:-0.611713
Area:398.082
Solvation:-10.5638
Coulombic:-58.0469
Bond Count [?]
All:19
Single:11
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:250.165
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:0.41
LogP (Chemaxon):0.12

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