Chemical ID: 4499503

CC1CC(n2c(cc(n2)C(=O)O)N1)C(C(F)(F)F)(F)F
Chemical ID:
4499503
Name [?]:
4-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1,5,9-triazabicyclo[4.3.0]nona-6,8-diene-8-carboxylic acid
SMILES [?]:
CC1CC(n2c(cc(n2)C(=O)O)N1)C(C(F)(F)F)(F)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C10H10F5N3O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:2
ZAP Information [?]
Total:6.35904
Area:404.861
Solvation:-3.76248
Coulombic:-73.5057
Bond Count [?]
All:21
Single:18
Double:3
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:299.197
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.22
LogP (Chemaxon):1.55

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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