Chemical ID: 6779657

c1ccc(cc1)S(=O)(=O)[N-]c2cc(c(c(c2)Br)N)Br
Chemical ID:
6779657
Name [?]:
(4-amino-3,5-dibromo-phenyl)-phenylsulfonyl-azanide
SMILES [?]:
c1ccc(cc1)S(=O)(=O)[N-]c2cc(c(c(c2)Br)N)Br
InChi [?]:
InChI=1/C12H9Br2N2O2S/c13-10-6-8(7-11(14)12(10)15)16-19(17,18)9-4-2-1-3-5-9/h1-7H,15H2/q-1
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,12,16,11,4,13,15,14,19,17,18,10,8,9,7/E:(2,3)(4,5)(6,7)(10,11)(13,14)(17,18)/CRV:16-1,19.6/rA:19nCCCCCCSOON-CCCCCCBrNBr/rB:s1;d2;s3;d4;d1s5;s4;d7;d7;s7;s10;s11;d12;s13;d14;d11s15;s15;s14;s13;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H9Br2N2O2S-
All Atoms:28
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:-20.8895
Area:471.32
Solvation:-32.6725
Coulombic:5.73083
Bond Count [?]
All:20
Single:12
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:405.086
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.34
LogP (Chemaxon):3.41

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