ChemDB: Chemical Search
Download
Chemical ID: 6687135
Chemical ID:
6687135
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)nc3c(n2)sc(=O)s3
InChi [?]:
InChI=1/C10H6N2OS2/c1-5-2-3-6-7(4-5)12-9-8(11-6)14-10(13)15-9/h2-4H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,4,7,2,5,6,10,9,13,11,8,14,12,15/rA:15nCCCCCCCNCCNSCOS/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;d9;d5s10;s10;s12;d13;s9s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H6N2OS2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.99047 |
Area: | 379.23 |
Solvation: | -1.49029 |
Coulombic: | -22.3598 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 234.3 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.14 |
LogP (Chemaxon): | 3.8 |
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 |
---|