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Chemical ID: 6149840
Chemical ID:
6149840
Name [?]:
4-(2-fluorophenyl)sulfonylmorpholine
SMILES [?]:
c1ccc(c(c1)F)S(=O)(=O)N2CCOCC2
InChi [?]:
InChI=1/C10H12FNO3S/c11-9-3-1-2-4-10(9)16(13,14)12-5-7-15-8-6-12/h1-4H,5-8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,12,16,13,15,5,4,7,11,9,10,14,8/E:(5,6)(7,8)(13,14)/CRV:16.6/rA:16nCCCCCCFSOONCCOCC/rB:s1;d2;s3;d4;d1s5;s5;s4;d8;d8;s8;s11;s12;s13;s14;s11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12FNO3S |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.77551 |
Area: | 378.489 |
Solvation: | -3.68671 |
Coulombic: | -19.4837 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 245.272 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 0.87 |
LogP (Chemaxon): | 0.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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