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Chemical ID: 7712133
Chemical ID:
7712133
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)NS(=O)(=O)c2cc(ccc2Br)Br
InChi [?]:
InChI=1/C13H11Br2NO2S/c1-9-2-5-11(6-3-9)16-19(17,18)13-8-10(14)4-7-12(13)15/h2-8,16H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,15,4,6,16,13,2,14,5,17,12,19,18,8,10,11,9/E:(2,3)(5,6)(17,18)/CRV:19.6/rA:19nCCCCCCCNSOOCCCCCCBrBr/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s17;s14;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H11Br2NO2S |
All Atoms: | 30 |
Heavy Atoms: | 19 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.75608 |
Area: | 459.057 |
Solvation: | -1.72033 |
Coulombic: | -13.3967 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.75 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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