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Chemical ID: 5656295
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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