ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7707528

Chemical ID:

7707528

Name [?]:

None

SMILES [?]:

Cc1ccccc1S(=O)(=O)Nc2cccc(c2)Cl

InChi [?]:

InChI=1/C13H12ClNO2S/c1-10-5-2-3-8-13(10)18(16,17)15-12-7-4-6-11(14)9-12/h2-9,15H,1H3

InChi Info:

AuxInfo=1/0/N:1,4,5,14,3,15,13,6,17,2,16,12,7,18,11,9,10,8/E:(16,17)/CRV:18.6/rA:18nCCCCCCCSOONCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₂ClNO₂S
All Atoms:	30
Heavy Atoms:	18
Chiral Atoms:	None

ZAP Information [?]

Total:	9.25543
Area:	435.709
Solvation:	-1.63731
Coulombic:	-14.5833

Bond Count [?]

All:	19
Single:	11
Double:	8
Rotors:	3
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.56
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