Chemical ID: 4545379

c1cc(c2cnccc2c1Br)Br
Chemical ID:
4545379
Name [?]:
5,8-dibromoisoquinoline
SMILES [?]:
c1cc(c2cnccc2c1Br)Br
InChi [?]:
InChI=1/C9H5Br2N/c10-8-1-2-9(11)7-5-12-4-3-6(7)8/h1-5H
InChi Info:
AuxInfo=1/0/N:1,2,8,7,5,9,4,10,3,11,12,6/rA:12nCCCCCNCCCCBrBr/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s10;s3;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H5Br2N
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:7.23467
Area:330.784
Solvation:-1.03492
Coulombic:-5.76698
Bond Count [?]
All:13
Single:8
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:286.951
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.63
LogP (Chemaxon):3.32

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