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Chemical ID: 6246381
Chemical ID:
6246381
Name [?]:
2-fluoro-N-[5-(3-pyridyl)-1,3,4-oxadiazol-2-yl]-benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)Nc2nnc(o2)c3cccnc3)F
InChi [?]:
InChI=1/C14H9FN4O2/c15-11-6-2-1-5-10(11)12(20)17-14-19-18-13(21-14)9-4-3-7-16-8-9/h1-8H,(H,17,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,17,16,6,3,18,20,15,5,4,7,13,10,21,19,9,12,11,8,14/rA:21nCCCCCCCONCNNCOCCCCNCF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;d10;s11;d12;s10s13;s13;s15;d16;s17;d18;d15s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H9FN4O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.19314 |
Area: | 465.505 |
Solvation: | -4.44447 |
Coulombic: | -43.5725 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 284.245 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.26 |
LogP (Chemaxon): | 1.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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