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Chemical ID: 5758652
Chemical ID:
5758652
Name [?]:
N-(1-acetyl-2-methyl-imidazol-4-yl)acetamide
SMILES [?]:
Cc1nc(cn1C(=O)C)NC(=O)C
InChi [?]:
InChI=1/C8H11N3O2/c1-5-9-8(10-6(2)12)4-11(5)7(3)13/h4H,1-3H3,(H,10,12)
InChi Info:
AuxInfo=1/1/N:1,13,9,5,2,11,7,4,3,10,6,12,8/rA:13nCCNCCNCOCNCOC/rB:s1;d2;s3;d4;s2s5;s6;d7;s7;s4;s10;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H11N3O2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.02164 |
Area: | 346.274 |
Solvation: | -2.6352 |
Coulombic: | -37.6661 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 181.192 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | -0.69 |
LogP (Chemaxon): | -0.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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