ChemDB: Chemical Search
Download
Chemical ID: 7244621
Chemical ID:
7244621
Name [?]:
2-(3-allyl-2,4,5-trioxo-imidazolidin-1-yl)acetic acid
SMILES [?]:
C=CCN1C(=O)C(=O)N(C1=O)CC(=O)O
InChi [?]:
InChI=1/C8H8N2O5/c1-2-3-9-6(13)7(14)10(8(9)15)4-5(11)12/h2H,1,3-4H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,3,12,13,5,7,10,4,9,14,15,6,8,11/E:(11,12)/rA:15nCCCNCOCONCOCCOO/rB:d1;s2;s3;s4;d5;s5;d7;s7;s4s9;d10;s9;s12;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H8N2O5 |
All Atoms: | 23 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.94488 |
Area: | 376.232 |
Solvation: | -3.46092 |
Coulombic: | -73.1599 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 212.16 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | -1.16 |
LogP (Chemaxon): | -0.44 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|