Chemical ID: 5684082

c1cc2c(cc(c(c2[nH+]c1)[O-])Br)Br
Chemical ID:
5684082
Name [?]:
5,7-dibromo-1H-quinolin-8-olate
SMILES [?]:
c1cc2c(cc(c(c2[nH+]c1)[O-])Br)Br
InChi [?]:
InChI=1/C9H5Br2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
InChi Info:
AuxInfo=1/1/N:1,2,10,5,3,4,6,8,7,13,12,9,11/rA:13nCCCCCCCCN+CO-BrBr/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s7;s6;s4;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H5Br2NO
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:-15.751
Area:346.592
Solvation:-24.4158
Coulombic:-34.7505
Bond Count [?]
All:14
Single:9
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:302.95
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.32
LogP (Chemaxon):3.44

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Descriptor Annotations

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