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Chemical ID: 5562625

Chemical ID:

5562625

Name [?]:

1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]ethanone

SMILES [?]:

CC1CN(CC(O1)C)S(=O)(=O)c2cccc(c2)C(=O)C

InChi [?]:

InChI=1/C14H19NO4S/c1-10-8-15(9-11(2)19-10)20(17,18)14-6-4-5-13(7-14)12(3)16/h4-7,10-11H,8-9H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,8,20,14,15,13,17,3,5,2,6,18,16,12,4,19,10,11,7,9/E:(1,2)(8,9)(10,11)(17,18)/CRV:20.6/rA:20cCCCNCCOCSOOCCCCCCCOC/rB:s1;s2;s3;s4;s5;s2s6;s6;s4;d9;d9;s9;s12;d13;s14;d15;d12s16;s16;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₉NO₄S
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	2

ZAP Information [?]

Total:	7.95266
Area:	479.867
Solvation:	-4.04402
Coulombic:	-23.0561

Bond Count [?]

All:	21
Single:	15
Double:	6
Rotors:	3
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	297.371
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	1.47
LogP (Chemaxon):	0.96

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value