ChemDB: Chemical Search
Download
Chemical ID: 7112531
Chemical ID:
7112531
Name [?]:
N-(2-furylmethyl)-2H-tetrazol-5-amine
SMILES [?]:
c1cc(oc1)CNc2n[nH]nn2
InChi [?]:
InChI=1/C6H7N5O/c1-2-5(12-3-1)4-7-6-8-10-11-9-6/h1-3H,4H2,(H2,7,8,9,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,3,8,7,9,12,10,11,4/E:(8,9)(10,11)/rA:12nCCCOCCNCNNNN/rB:s1;d2;s3;d1s4;s3;s6;s7;d8;s9;s10;s8d11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H7N5O |
All Atoms: | 19 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.80051 |
Area: | 330.961 |
Solvation: | -2.47352 |
Coulombic: | -29.1482 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 165.153 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 0.68 |
LogP (Chemaxon): | 0.53 |
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 |
---|