Chemical ID: 6702376

c1cc(c(cc1S(=O)(=O)NCCC(=O)[O-])Cl)F
Chemical ID:
6702376
Name [?]:
3-(3-chloro-4-fluoro-phenyl)sulfonylaminopropanoate
SMILES [?]:
c1cc(c(cc1S(=O)(=O)NCCC(=O)[O-])Cl)F
InChi [?]:
InChI=1/C9H9ClFNO4S/c10-7-5-6(1-2-8(7)11)17(15,16)12-4-3-9(13)14/h1-2,5,12H,3-4H2,(H,13,14)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,12,11,5,6,4,3,13,16,17,10,14,15,8,9,7/E:(13,14)(15,16)/CRV:17.6/rA:17nCCCCCCSOONCCCOO-ClF/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s7;s10;s11;s12;d13;s13;s4;s3;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8ClFNO4S-
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:-32.2044
Area:441.24
Solvation:-43.2354
Coulombic:-15.5855
Bond Count [?]
All:17
Single:11
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:280.681
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.71
LogP (Chemaxon):1.31

Name Annotations

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Descriptor Annotations

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