ChemDB: Chemical Search
Download
Chemical ID: 4595864
Chemical ID:
4595864
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)Nc3c(sc(=O)[nH]3)C=N2
InChi [?]:
InChI=1/C10H7N3OS/c14-10-13-9-8(15-10)5-11-6-3-1-2-4-7(6)12-9/h1-5,12H,(H,13,14)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,14,4,5,9,8,11,15,7,13,12,10/rA:15nCCCCCCNCCSCONCN/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;s10;d11;s8s11;s9;s4d14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H7N3OS |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.13799 |
Area: | 363.543 |
Solvation: | -1.95059 |
Coulombic: | -38.5971 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 217.248 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.2 |
LogP (Chemaxon): | 2.0 |
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 |
---|