ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7707823

Chemical ID:

7707823

Name [?]:

None

SMILES [?]:

Cc1ccccc1S(=O)(=O)Nc2ccccc2C(C)C

InChi [?]:

InChI=1/C16H19NO2S/c1-12(2)14-9-5-6-10-15(14)17-20(18,19)16-11-7-4-8-13(16)3/h4-12,17H,1-3H3

InChi Info:

AuxInfo=1/0/N:19,20,1,4,15,14,5,3,16,13,6,18,2,17,12,7,11,9,10,8/E:(1,2)(18,19)/CRV:20.6/rA:20nCCCCCCCSOONCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s17;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₉NO₂S
All Atoms:	39
Heavy Atoms:	20
Chiral Atoms:	None

ZAP Information [?]

Total:	9.49156
Area:	444.953
Solvation:	-1.63227
Coulombic:	-15.2133

Bond Count [?]

All:	21
Single:	13
Double:	8
Rotors:	4
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.13
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