ChemDB: Chemical Search
Download
Chemical ID: 6693684
Chemical ID:
6693684
Name [?]:
2-(2-methyl-5-nitro-imidazol-1-yl)ethanol
SMILES [?]:
Cc1ncc(n1CCO)N(=O)=O
InChi [?]:
InChI=1/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,8,4,2,5,3,6,10,9,11,12/E:(11,12)/CRV:9.5/rA:12nCCNCCNCCONOO/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;s5;d10;d10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H9N3O3 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 0.977579 |
Area: | 327.293 |
Solvation: | -7.20475 |
Coulombic: | -42.112 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 171.154 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | -0.14 |
LogP (Chemaxon): | -0.26 |
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 |
---|