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Chemical ID: 4225377
Chemical ID:
4225377
Name [?]:
2-[5-(2-furyl)-1,2,4-oxadiazol-3-yl]pyridine
SMILES [?]:
c1ccnc(c1)c2nc(on2)c3ccco3
InChi [?]:
InChI=1/C11H7N3O2/c1-2-6-12-8(4-1)10-13-11(16-14-10)9-5-3-7-15-9/h1-7H
InChi Info:
AuxInfo=1/0/N:1,2,14,6,13,3,15,5,12,7,9,4,8,11,16,10/rA:16nCCCNCCCNCONCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d7s10;s9;d12;s13;d14;s12s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H7N3O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.12303 |
Area: | 389.403 |
Solvation: | -2.61204 |
Coulombic: | -26.1773 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 213.192 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 1.64 |
LogP (Chemaxon): | 2.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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