ChemDB: Chemical Search
Download
Chemical ID: 6779657
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 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|