ChemDB: Chemical Search
Download
Chemical ID: 4747895
Chemical ID:
4747895
Name [?]:
2-(2-thienyl)-2,3-dihydrobenzooxazole
SMILES [?]:
c1ccc2c(c1)NC(O2)c3cccs3
InChi [?]:
InChI=1/C11H9NOS/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10/h1-7,11-12H
InChi Info:
AuxInfo=1/0/N:1,2,12,6,3,11,13,5,4,10,8,7,9,14/rA:14cCCCCCCNCOCCCCS/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;s8;d10;s11;d12;s10s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H9NOS |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.05873 |
Area: | 360.427 |
Solvation: | -1.95194 |
Coulombic: | -22.5637 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 203.261 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.39 |
LogP (Chemaxon): | 2.72 |
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 |
---|