Chemical ID: 4409303

Cc1cc(c(cc1C)S(=O)(=O)N2CCOCC2)C
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

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Descriptor Annotations

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