ChemDB: Chemical Search
Download
Chemical ID: 4912641
Chemical ID:
4912641
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)Cn3cccc3C(=O)S2
InChi [?]:
InChI=1/C12H9NOS/c14-12-10-5-3-7-13(10)8-9-4-1-2-6-11(9)15-12/h1-7H,8H2
InChi Info:
AuxInfo=1/0/N:1,2,10,6,11,3,9,7,5,12,4,13,8,14,15/rA:15nCCCCCCCNCCCCCOS/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;s8d11;s12;d13;s4s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H9NOS |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.38655 |
Area: | 362.896 |
Solvation: | -1.68584 |
Coulombic: | -18.011 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 215.272 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.63 |
LogP (Chemaxon): | 2.61 |
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 |
---|