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Chemical ID: 4041166
Chemical ID:
4041166
Name [?]:
2,6-dimethyl-4-(m-tolylsulfonyl)morpholine
SMILES [?]:
Cc1cccc(c1)S(=O)(=O)N2CC(OC(C2)C)C
InChi [?]:
InChI=1/C13H19NO3S/c1-10-5-4-6-13(7-10)18(15,16)14-8-11(2)17-12(3)9-14/h4-7,11-12H,8-9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,17,18,4,3,5,7,16,12,2,15,13,6,11,9,10,14,8/E:(2,3)(8,9)(11,12)(15,16)/CRV:18.6/rA:18cCCCCCCCSOONCCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;d8;s8;s11;s12;s13;s14;s11s15;s15;s13;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19NO3S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.50702 |
Area: | 446.155 |
Solvation: | -2.64686 |
Coulombic: | -16.8532 |
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: | 2.07 |
LogP (Chemaxon): | 2.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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