Chemical ID: 4700853

c1ccn(c1)c2nnc3n2cc(cc3Cl)C(F)(F)F
Chemical ID:
4700853
Name [?]:
2-chloro-7-pyrrol-1-yl-4-(trifluoromethyl)-6,8,9-triazabicyclo[4.3.0]nona-2,4,7,9-tetraene
SMILES [?]:
c1ccn(c1)c2nnc3n2cc(cc3Cl)C(F)(F)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C11H6ClF3N4
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.904
Area:417.106
Solvation:-2.52365
Coulombic:-35.8756
Bond Count [?]
All:21
Single:15
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:286.64
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.31
LogP (Chemaxon):2.99

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