Chemical ID: 5871729

c1cc(sc1C(CC(=O)O)NC(=O)C(F)(F)F)Br
Chemical ID:
5871729
Name [?]:
3-(5-bromo-2-thienyl)-3-(2,2,2-trifluoroacetyl)amino-propanoic acid
SMILES [?]:
c1cc(sc1C(CC(=O)O)NC(=O)C(F)(F)F)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C9H7BrF3NO3S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:8.11979
Area:439.628
Solvation:-2.87091
Coulombic:-69.3594
Bond Count [?]
All:18
Single:14
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:346.122
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.25
LogP (Chemaxon):2.03

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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