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Chemical ID: 4040424
Chemical ID:
4040424
Name [?]:
4-(4-ethylphenyl)sulfonylmorpholine
SMILES [?]:
CCc1ccc(cc1)S(=O)(=O)N2CCOCC2
InChi [?]:
InChI=1/C12H17NO3S/c1-2-11-3-5-12(6-4-11)17(14,15)13-7-9-16-10-8-13/h3-6H,2,7-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,4,8,5,7,13,17,14,16,3,6,12,10,11,15,9/E:(3,4)(5,6)(7,8)(9,10)(14,15)/CRV:17.6/rA:17nCCCCCCCCSOONCCOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;d9;s9;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17NO3S |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.77316 |
Area: | 425.326 |
Solvation: | -2.86 |
Coulombic: | -16.5905 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 255.334 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.61 |
LogP (Chemaxon): | 1.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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