Chemical ID: 5245601

c1ccc2c(c1)cccc2Cc3[nH]c4c(n3)cc(cn4)Br
Chemical ID:
5245601
Name [?]:
4-bromo-8-(1-naphthylmethyl)-2,7,9-triazabicyclo[4.3.0]nona-1,3,5,7-tetraene
SMILES [?]:
c1ccc2c(c1)cccc2Cc3[nH]c4c(n3)cc(cn4)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H12BrN3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.76098
Area:468.549
Solvation:-1.95275
Coulombic:-23.881
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:338.201
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.62
LogP (Chemaxon):4.59

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