ChemDB: Chemical Search
Download
Chemical ID: 5871409
Chemical ID:
5871409
Name [?]:
4-nitro-1H-indazole
SMILES [?]:
c1cc2c(cn[nH]2)c(c1)[N+](=O)[O-]
InChi [?]:
InChI=1/C7H5N3O2/c11-10(12)7-3-1-2-6-5(7)4-8-9-6/h1-4H,(H,8,9)
InChi Info:
AuxInfo=1/1/N:1,2,9,5,4,3,8,6,7,10,11,12/E:(11,12)/CRV:10.5/rA:12nCCCCCNNCCN+OO-/rB:s1;d2;s3;s4;d5;s3s6;d4;d1s8;s8;d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H5N3O2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 1.13823 |
Area: | 304.763 |
Solvation: | -6.48084 |
Coulombic: | -21.0345 |
Bond Count [?]
All: | 13 |
Single: | 8 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 163.134 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.92 |
LogP (Chemaxon): | 1.72 |
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 |
---|