Chemical ID: 4640610

c1cc2c(cc1Br)[n+](c3c([n+]2[O-])CCC3)[O-]
Chemical ID:
4640610
Name [?]:
None
SMILES [?]:
c1cc2c(cc1Br)[n+](c3c([n+]2[O-])CCC3)[O-]
InChi [?]:
InChI=1/C11H9BrN2O2/c12-7-4-5-10-11(6-7)14(16)9-3-1-2-8(9)13(10)15/h4-6H,1-3H2
InChi Info:
AuxInfo=1/0/N:14,13,15,1,2,5,6,10,9,3,4,7,11,8,12,16/CRV:13.5,14.5/rA:16nCCCCCCBrN+CCN+O-CCCO-/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s9;s3d10;s11;s10;s13;s9s14;s8;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H9BrN2O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:-4.24634
Area:380.147
Solvation:-13.75
Coulombic:-28.2536
Bond Count [?]
All:18
Single:13
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:281.105
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.15
LogP (Chemaxon):0.83

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Descriptor Annotations

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