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Chemical ID: 4409303
Chemical ID:
4409303
Name [?]:
4-(2,4,5-trimethylphenyl)sulfonylmorpholine
SMILES [?]:
Cc1cc(c(cc1C)S(=O)(=O)N2CCOCC2)C
InChi [?]:
InChI=1/C13H19NO3S/c1-10-8-12(3)13(9-11(10)2)18(15,16)14-4-6-17-7-5-14/h8-9H,4-7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,18,13,17,14,16,3,6,2,7,4,5,12,10,11,15,9/E:(4,5)(6,7)(15,16)/CRV:18.6/rA:18nCCCCCCCCSOONCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;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: | 7.74313 |
Area: | 423.906 |
Solvation: | -2.85453 |
Coulombic: | -16.0201 |
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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