ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7704885

Chemical ID:

7704885

Name [?]:

None

SMILES [?]:

Cc1cc(ccc1Br)NS(=O)(=O)c2ccc(s2)Br

InChi [?]:

InChI=1/C11H9Br2NO2S2/c1-7-6-8(2-3-9(7)12)14-18(15,16)11-5-4-10(13)17-11/h2-6,14H,1H3

InChi Info:

AuxInfo=1/0/N:1,5,6,15,14,3,2,4,7,16,13,8,18,9,11,12,17,10/E:(15,16)/CRV:18.6/rA:18nCCCCCCCBrNSOOCCCCSBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s9;d10;d10;s10;d13;s14;d15;s13s16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₁H₉Br₂NO₂S₂
All Atoms:	27
Heavy Atoms:	18
Chiral Atoms:	None

ZAP Information [?]

Total:	10.032
Area:	468.291
Solvation:	-1.6753
Coulombic:	-13.6042

Bond Count [?]

All:	19
Single:	12
Double:	7
Rotors:	3
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.22
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