Chemical ID: 3965849

CCCCCCNC(=O)n1cc(c(=O)[nH]c1=O)F
Chemical ID:
3965849
Name [?]:
5-fluoro-N-hexyl-2,4-dioxo-pyrimidine-1-carboxamide
SMILES [?]:
CCCCCCNC(=O)n1cc(c(=O)[nH]c1=O)F
InChi [?]:
InChI=1/C11H16FN3O3/c1-2-3-4-5-6-13-10(17)15-7-8(12)9(16)14-11(15)18/h7H,2-6H2,1H3,(H,13,17)(H,14,16,18)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,6,11,12,13,8,16,18,7,15,10,14,9,17/rA:18nCCCCCCNCONCCCONCOF/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;s13;s10s15;d16;s12;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H16FN3O3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.14967
Area:456.229
Solvation:-4.25606
Coulombic:-63.978
Bond Count [?]
All:18
Single:14
Double:4
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:257.262
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.34
LogP (Chemaxon):1.39

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