Chemical ID: 3990381

c1cc(c(cc1C(=O)O)S(=O)(=O)N2CCOCC2)F
Chemical ID:
3990381
Name [?]:
4-fluoro-3-morpholinosulfonyl-benzoic acid
SMILES [?]:
c1cc(c(cc1C(=O)O)S(=O)(=O)N2CCOCC2)F
InChi [?]:
InChI=1/C11H12FNO5S/c12-9-2-1-8(11(14)15)7-10(9)19(16,17)13-3-5-18-6-4-13/h1-2,7H,3-6H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,14,18,15,17,5,6,3,4,7,19,13,8,9,11,12,16,10/E:(3,4)(5,6)(14,15)(16,17)/CRV:19.6/rA:19nCCCCCCCOOSOONCCOCCF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;d10;d10;s10;s13;s14;s15;s16;s13s17;s3;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12FNO5S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:5.99403
Area:431.453
Solvation:-4.79229
Coulombic:-44.9334
Bond Count [?]
All:20
Single:14
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:289.281
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:0.49
LogP (Chemaxon):0.49

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