Chemical ID: 4701959

c1cc2c(c[nH]c2nc1)Br
Chemical ID:
4701959
Name [?]:
9-bromo-5,7-diazabicyclo[4.3.0]nona-1,3,5,8-tetraene
SMILES [?]:
c1cc2c(c[nH]c2nc1)Br
InChi [?]:
InChI=1/C7H5BrN2/c8-6-4-10-7-5(6)2-1-3-9-7/h1-4H,(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,9,5,3,4,7,10,8,6/rA:10nCCCCCNCNCBr/rB:s1;d2;s3;d4;s5;s3s6;d7;d1s8;s4;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H5BrN2
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:6.00892
Area:289.934
Solvation:-1.23942
Coulombic:-16.6149
Bond Count [?]
All:11
Single:7
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:197.032
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.37
LogP (Chemaxon):2.36

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