ChemDB: Chemical Search
Download
Chemical ID: 4728069
Chemical ID:
4728069
Name [?]:
2-propylsulfanylpyridine-3-carboxamide
SMILES [?]:
CCCSc1c(cccn1)C(=O)N
InChi [?]:
InChI=1/C9H12N2OS/c1-2-6-13-9-7(8(10)12)4-3-5-11-9/h3-5H,2,6H2,1H3,(H2,10,12)
InChi Info:
AuxInfo=1/1/N:1,2,8,7,9,3,6,11,5,13,10,12,4/rA:13nCCCSCCCCCNCON/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s6;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H12N2OS |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.94775 |
Area: | 369.418 |
Solvation: | -2.2877 |
Coulombic: | -31.6535 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 196.27 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 1.2 |
LogP (Chemaxon): | 1.44 |
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 |
---|