ChemicalDetail: Details for an Individual Chemical

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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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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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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