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Chemical ID: 4170151

Chemical ID:

4170151

Name [?]:

4-(2,4,6-trimethylphenyl)sulfonylmorpholine

SMILES [?]:

Cc1cc(c(c(c1)C)S(=O)(=O)N2CCOCC2)C

InChi [?]:

InChI=1/C13H19NO3S/c1-10-8-11(2)13(12(3)9-10)18(15,16)14-4-6-17-7-5-14/h8-9H,4-7H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,8,18,13,17,14,16,7,3,2,6,4,5,12,10,11,15,9/E:(2,3)(4,5)(6,7)(8,9)(11,12)(15,16)/CRV:18.6/rA:18nCCCCCCCCSOONCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;d9;s9;s12;s13;s14;s15;s12s16;s4;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₉NO₃S
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	7.59161
Area:	415.488
Solvation:	-2.79558
Coulombic:	-16.244

Bond Count [?]

All:	19
Single:	14
Double:	5
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	269.361
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	1.6
LogP (Chemaxon):	2.23

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value