ChemDB: Chemical Search
Download
Chemical ID: 5820827
Chemical ID:
5820827
Name [?]:
2-phenyl-N-[1-(2-thienyl)ethyl]acetamide
SMILES [?]:
CC(c1cccs1)NC(=O)Cc2ccccc2
InChi [?]:
InChI=1/C14H15NOS/c1-11(13-8-5-9-17-13)15-14(16)10-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,15,14,16,5,13,17,4,6,11,2,12,3,9,8,10,7/E:(3,4)(6,7)/rA:17cCCCCCCSNCOCCCCCCC/rB:s1;s2;d3;s4;d5;s3s6;s2;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15NOS |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.88861 |
Area: | 445.236 |
Solvation: | -2.24228 |
Coulombic: | -23.0282 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 245.341 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.54 |
LogP (Chemaxon): | 2.66 |
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 |
---|