ChemDB: Chemical Search
Download
Chemical ID: 7090646
Chemical ID:
7090646
Name [?]:
1-phenyl-N-(2-thienylmethyl)ethanamine
SMILES [?]:
CC(c1ccccc1)NCc2cccs2
InChi [?]:
InChI=1/C13H15NS/c1-11(12-6-3-2-4-7-12)14-10-13-8-5-9-15-13/h2-9,11,14H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,13,4,8,12,14,10,2,3,11,9,15/E:(3,4)(6,7)/rA:15cCCCCCCCCNCCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;s10;d11;s12;d13;s11s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H15NS |
All Atoms: | 30 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.01189 |
Area: | 416.379 |
Solvation: | -1.3976 |
Coulombic: | -11.992 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 217.331 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.83 |
LogP (Chemaxon): | 3.18 |
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 |
---|