Chemical ID: 5776964

C(#N)c1c(c([nH]c1N)Br)C#N
Chemical ID:
5776964
Name [?]:
2-amino-5-bromo-1H-pyrrole-3,4-dicarbonitrile
SMILES [?]:
C(#N)c1c(c([nH]c1N)Br)C#N
InChi [?]:
InChI=1/C6H3BrN4/c7-5-3(1-8)4(2-9)6(10)11-5/h11H,10H2
InChi Info:
AuxInfo=1/0/N:10,1,4,3,5,7,9,11,2,8,6/rA:11nCNCCCNCNBrCN/rB:t1;s1;s3;d4;s5;d3s6;s7;s5;s4;t10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H3BrN4
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.5454
Area:330.594
Solvation:-1.71944
Coulombic:-32.7379
Bond Count [?]
All:11
Single:7
Double:2
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:211.019
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.01
LogP (Chemaxon):0.28

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Descriptor Annotations

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