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Chemical ID: 3965849
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
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Experimental Annotations
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Descriptor Annotations
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