Chemical ID: 4760533

c1ccc(cc1)S(=O)(=O)CCN2CCOCC2
Chemical ID:
4760533
Name [?]:
4-(2-phenylsulfonylethyl)morpholine
SMILES [?]:
c1ccc(cc1)S(=O)(=O)CCN2CCOCC2
InChi [?]:
InChI=1/C12H17NO3S/c14-17(15,12-4-2-1-3-5-12)11-8-13-6-9-16-10-7-13/h1-5H,6-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,13,17,11,14,16,10,4,12,8,9,15,7/E:(2,3)(4,5)(6,7)(9,10)(14,15)/CRV:17.6/rA:17nCCCCCCSOOCCNCCOCC/rB:s1;d2;s3;d4;d1s5;s4;d7;d7;s7;s10;s11;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17NO3S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.15721
Area:435.705
Solvation:-3.73541
Coulombic:-17.0405
Bond Count [?]
All:18
Single:13
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:255.334
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:0.93
LogP (Chemaxon):0.58

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue