ChemDB: Chemical Search
Download
Chemical ID: 4760990
Chemical ID:
4760990
Name [?]:
2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)acetohydrazide
SMILES [?]:
Cc1c(c(n(n1)CC(=O)NN)C)Br
InChi [?]:
InChI=1/C7H11BrN4O/c1-4-7(8)5(2)12(11-4)3-6(13)10-9/h3,9H2,1-2H3,(H,10,13)
InChi Info:
AuxInfo=1/1/N:1,12,7,2,4,8,3,13,11,10,6,5,9/rA:13nCCCCNNCCONNCBr/rB:s1;s2;d3;s4;d2s5;s5;s7;d8;s8;s10;s4;s3;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H11BrN4O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.47631 |
Area: | 366.766 |
Solvation: | -3.69285 |
Coulombic: | -29.4786 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 247.093 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | -0.13 |
LogP (Chemaxon): | -0.04 |
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 |
---|