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Chemical ID: 4411571
Chemical ID:
4411571
Name [?]:
4-(2,3,4-trimethylphenyl)sulfonylmorpholine
SMILES [?]:
Cc1ccc(c(c1C)C)S(=O)(=O)N2CCOCC2
InChi [?]:
InChI=1/C13H19NO3S/c1-10-4-5-13(12(3)11(10)2)18(15,16)14-6-8-17-9-7-14/h4-5H,6-9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,9,3,4,14,18,15,17,2,7,6,5,13,11,12,16,10/E:(6,7)(8,9)(15,16)/CRV:18.6/rA:18nCCCCCCCCCSOONCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s5;d10;d10;s10;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19NO3S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.67903 |
Area: | 422.31 |
Solvation: | -2.87871 |
Coulombic: | -16.0167 |
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: | 1.81 |
LogP (Chemaxon): | 2.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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