Chemical ID: 4693589

c1cc2c(cc1C(CC(=O)O)NC(=O)C(F)(F)F)OCO2
Chemical ID:
4693589
Name [?]:
3-benzo[1,3]dioxol-5-yl-3-(2,2,2-trifluoroacetyl)amino-propanoic acid
SMILES [?]:
c1cc2c(cc1C(CC(=O)O)NC(=O)C(F)(F)F)OCO2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H10F3NO5
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:6.39723
Area:450.794
Solvation:-4.87261
Coulombic:-84.4295
Bond Count [?]
All:22
Single:17
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:305.207
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.52
LogP (Chemaxon):1.58

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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