Chemical ID: 6444921

COc1c(cc(cc1CNC(=O)C(F)(F)F)[N+](=O)[O-])CNC(=O)C(F)(F)F
Chemical ID:
6444921
Name [?]:
2,2,2-trifluoro-N-[[2-methoxy-5-nitro-3-[(2,2,2-trifluoroacetyl)aminomethyl]phenyl]methyl]acetamide
SMILES [?]:
COc1c(cc(cc1CNC(=O)C(F)(F)F)[N+](=O)[O-])CNC(=O)C(F)(F)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H11F6N3O5
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:2.94574
Area:547.022
Solvation:-10.7298
Coulombic:-102.588
Bond Count [?]
All:27
Single:21
Double:6
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:403.234
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:1.9
LogP (Chemaxon):1.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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