ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7711611

Chemical ID:

7711611

Name [?]:

None

SMILES [?]:

Cc1ccc(c(c1)C)S(=O)(=O)NCc2ccccc2

InChi [?]:

InChI=1/C15H17NO2S/c1-12-8-9-15(13(2)10-12)19(17,18)16-11-14-6-4-3-5-7-14/h3-10,16H,11H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,8,17,16,18,15,19,3,4,7,13,2,6,14,5,12,10,11,9/E:(4,5)(6,7)(17,18)/CRV:19.6/rA:19nCCCCCCCCSOONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;d9;s9;s12;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₇NO₂S
All Atoms:	36
Heavy Atoms:	19
Chiral Atoms:	None

ZAP Information [?]

Total:	9.66901
Area:	462.734
Solvation:	-1.89935
Coulombic:	-14.9197

Bond Count [?]

All:	20
Single:	12
Double:	8
Rotors:	4
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.24
LogP (Chemaxon):	None

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

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