Chemical ID: 4686707

c1ccc(cc1)C#CC(=O)c2cccs2
Chemical ID:
4686707
Name [?]:
3-phenyl-1-(2-thienyl)prop-2-yn-1-one
SMILES [?]:
c1ccc(cc1)C#CC(=O)c2cccs2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H8OS
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.84391
Area:409.736
Solvation:-1.39949
Coulombic:-13.376
Bond Count [?]
All:16
Single:9
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:212.268
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.26
LogP (Chemaxon):3.44

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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