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Chemical ID: 6140231

Chemical ID:

6140231

Name [?]:

4-(3,4-dimethylphenyl)sulfonyl-2,6-dimethyl-morpholine

SMILES [?]:

Cc1ccc(cc1C)S(=O)(=O)N2CC(OC(C2)C)C

InChi [?]:

InChI=1/C14H21NO3S/c1-10-5-6-14(7-11(10)2)19(16,17)15-8-12(3)18-13(4)9-15/h5-7,12-13H,8-9H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,8,18,19,3,4,6,17,13,2,7,16,14,5,12,10,11,15,9/E:(3,4)(8,9)(12,13)(16,17)/CRV:19.6/rA:19cCCCCCCCCSOONCCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;d9;s9;s12;s13;s14;s15;s12s16;s16;s14;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₂₁NO₃S
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	2

ZAP Information [?]

Total:	8.93413
Area:	464.478
Solvation:	-2.67781
Coulombic:	-16.6105

Bond Count [?]

All:	20
Single:	15
Double:	5
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	283.387
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	2.5
LogP (Chemaxon):	2.59

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