ChemDB: Chemical Search
Download
Chemical ID: 6694908
Chemical ID:
6694908
Name [?]:
2-hydroxy-4-tetrazol-1-yl-benzoic acid
SMILES [?]:
c1cc(c(cc1n2cnnn2)O)C(=O)O
InChi [?]:
InChI=1/C8H6N4O3/c13-7-3-5(12-4-9-10-11-12)1-2-6(7)8(14)15/h1-4,13H,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,5,8,6,3,4,13,9,10,11,7,12,14,15/E:(14,15)/rA:15nCCCCCCNCNNNOCOO/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;s7d10;s4;s3;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H6N4O3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.36146 |
Area: | 363.813 |
Solvation: | -3.73386 |
Coulombic: | -45.8114 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 206.158 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 0.99 |
LogP (Chemaxon): | 0.81 |
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 |
---|