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Chemical ID: 6245906
Chemical ID:
6245906
Name [?]:
2-fluoro-N-[5-(2-furyl)-1,3,4-oxadiazol-2-yl]-benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)Nc2nnc(o2)c3ccco3)F
InChi [?]:
InChI=1/C13H8FN3O3/c14-9-5-2-1-4-8(9)11(18)15-13-17-16-12(20-13)10-6-3-7-19-10/h1-7H,(H,15,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,17,6,3,16,18,5,4,15,7,13,10,20,9,12,11,8,19,14/rA:20nCCCCCCCONCNNCOCCCCOF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;d10;s11;d12;s10s13;s13;d15;s16;d17;s15s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H8FN3O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.41197 |
Area: | 448.772 |
Solvation: | -4.80733 |
Coulombic: | -46.6404 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 273.219 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.22 |
LogP (Chemaxon): | 1.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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