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Chemical ID: 4760533
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
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Experimental Annotations
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Descriptor Annotations
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