ChemDB: Chemical Search
Download
Chemical ID: 6126674
Chemical ID:
6126674
Name [?]:
None
SMILES [?]:
c1c2n(nn1)CCn3c(cnn3)S2
InChi [?]:
InChI=1/C6H6N6S/c1-2-12-6(4-8-10-12)13-5-3-7-9-11(1)5/h3-4H,1-2H2
InChi Info:
AuxInfo=1/0/N:6,7,1,10,2,9,5,11,4,12,3,8,13/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:13nCCNNNCCNCCNNS/rB:d1;s2;s3;s1d4;s3;s6;s7;s8;d9;s10;s8d11;s2s9;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H6N6S |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.51042 |
Area: | 327.812 |
Solvation: | -2.68489 |
Coulombic: | -6.52498 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 194.218 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | -0.84 |
LogP (Chemaxon): | -0.46 |
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 |
---|