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Chemical ID: 6245939
Chemical ID:
6245939
Name [?]:
N-[5-(2-furyl)-1,3,4-oxadiazol-2-yl]-5,6-dihydro-1,4-dioxine-2-carboxamide
SMILES [?]:
c1cc(oc1)c2nnc(o2)NC(=O)C3=COCCO3
InChi [?]:
InChI=1/C11H9N3O5/c15-9(8-6-16-4-5-18-8)12-11-14-13-10(19-11)7-2-1-3-17-7/h1-3,6H,4-5H2,(H,12,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,5,17,18,15,3,14,12,6,9,11,7,8,13,16,4,19,10/rA:19nCCCOCCNNCONCOCCOCCO/rB:s1;d2;s3;d1s4;s3;d6;s7;d8;s6s9;s9;s11;d12;s12;d14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H9N3O5 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.77104 |
Area: | 440.793 |
Solvation: | -4.24878 |
Coulombic: | -60.1932 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 263.206 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.64 |
LogP (Chemaxon): | -0.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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