ChemDB: Chemical Search
Download
Chemical ID: 5095624
Chemical ID:
5095624
Name [?]:
4-(3-ethoxyphenyl)thiazole
SMILES [?]:
CCOc1cccc(c1)c2cscn2
InChi [?]:
InChI=1/C11H11NOS/c1-2-13-10-5-3-4-9(6-10)11-7-14-8-12-11/h3-8H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,6,7,5,9,11,13,8,4,10,14,3,12/rA:14nCCOCCCCCCCCSCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;d10;s11;s12;s10d13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11NOS |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.09496 |
Area: | 382.805 |
Solvation: | -2.47517 |
Coulombic: | -13.4839 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 205.277 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.2 |
LogP (Chemaxon): | 2.57 |
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 |
---|