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Chemical ID: 6245642
Chemical ID:
6245642
Name [?]:
N-[5-(5,6-dihydro-1,4-dioxin-2-yl)-1,3,4-oxadiazol-2-yl]-2-methyl-propanamide
SMILES [?]:
CC(C)C(=O)Nc1nnc(o1)C2=COCCO2
InChi [?]:
InChI=1/C10H13N3O4/c1-6(2)8(14)11-10-13-12-9(17-10)7-5-15-3-4-16-7/h5-6H,3-4H2,1-2H3,(H,11,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,15,16,13,2,12,4,10,7,6,9,8,5,14,17,11/E:(1,2)/rA:17nCCCCONCNNCOCCOCCO/rB:s1;s2;s2;d4;s4;s6;d7;s8;d9;s7s10;s10;d12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13N3O4 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.36188 |
Area: | 417.809 |
Solvation: | -4.08335 |
Coulombic: | -50.572 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 239.228 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.77 |
LogP (Chemaxon): | -0.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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