ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7697221

Chemical ID:

7697221

Name [?]:

None

SMILES [?]:

Cc1ccccc1S(=O)(=O)NC(C)c2ccccc2

InChi [?]:

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

InChi Info:

AuxInfo=1/0/N:1,13,17,16,18,4,5,3,15,19,6,2,12,14,7,11,9,10,8/E:(4,5)(9,10)(17,18)/CRV:19.6/rA:19cCCCCCCCSOONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;d8;s8;s11;s12;s12;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	9.129
Area:	448.27
Solvation:	-2.07775
Coulombic:	-15.1861

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:	3.33
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

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

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