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Chemical ID: 6702368
Chemical ID:
6702368
Name [?]:
2-(2-fluorophenyl)sulfonylaminoacetate
SMILES [?]:
c1ccc(c(c1)F)S(=O)(=O)NCC(=O)[O-]
InChi [?]:
InChI=1/C8H8FNO4S/c9-6-3-1-2-4-7(6)15(13,14)10-5-8(11)12/h1-4,10H,5H2,(H,11,12)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,5,4,13,7,11,14,15,9,10,8/E:(11,12)(13,14)/CRV:15.6/rA:15nCCCCCCFSOONCCOO-/rB:s1;d2;s3;d4;d1s5;s5;s4;d8;d8;s8;s11;s12;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H7FNO4S- |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -35.0984 |
Area: | 372.319 |
Solvation: | -44.4064 |
Coulombic: | -16.6159 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 232.21 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | -0.07 |
LogP (Chemaxon): | 0.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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