ChemDB: Chemical Search
Download
Chemical ID: 4729771
Chemical ID:
4729771
Name [?]:
3-hydroxyamino-N-oxido-3-oxo-propanamide
SMILES [?]:
C(C(=O)NO)C(=O)N[O-]
InChi [?]:
InChI=1/C3H5N2O4/c6-2(4-8)1-3(7)5-9/h1H2,(H3-,4,5,6,7,8,9)/q-1
InChi Info:
AuxInfo=1/2/N:1,2,6,4,8,3,7,5,9/E:(2,3)(4,5)(6,7)(8,9)/CRV:9-1/rA:9nCCONOCONO-/rB:s1;d2;s2;s4;s1;d6;s6;s8;/rC:;;;;;;;;;
Chemical Details
Atom Count
Formula: | C3H5N2O4- |
All Atoms: | 9 |
Heavy Atoms: | 9 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -43.8175 |
Area: | 283.853 |
Solvation: | -50.9138 |
Coulombic: | -17.8234 |
Bond Count [?]
All: | 8 |
Single: | 6 |
Double: | 2 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 133.083 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | -1.6 |
LogP (Chemaxon): | -2.46 |
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 |
---|