Chemical ID: 4411571

Cc1ccc(c(c1C)C)S(=O)(=O)N2CCOCC2
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

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Descriptor Annotations

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