Chemical ID: 4707979

c1cc(nn2c1nnc2C(F)(F)F)Cl
Chemical ID:
4707979
Name [?]:
3-chloro-9-(trifluoromethyl)-1,2,7,8-tetrazabicyclo[4.3.0]nona-2,4,6,8-tetraene
SMILES [?]:
c1cc(nn2c1nnc2C(F)(F)F)Cl
InChi [?]:
InChI=1/C6H2ClF3N4/c7-3-1-2-4-11-12-5(6(8,9)10)14(4)13-3/h1-2H
InChi Info:
AuxInfo=1/0/N:2,1,3,6,9,10,14,11,12,13,7,8,4,5/E:(8,9,10)/rA:14nCCCNNCNNCCFFFCl/rB:d1;s2;d3;s4;s1s5;d6;s7;s5d8;s9;s10;s10;s10;s3;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H2ClF3N4
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.60715
Area:335.566
Solvation:-1.78199
Coulombic:-31.0633
Bond Count [?]
All:15
Single:11
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:222.555
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.71
LogP (Chemaxon):1.88

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue