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Chemical ID: 4691170
Chemical ID:
4691170
Name [?]:
1-(3-acetyl-2H-imidazol-1-yl)ethanone
SMILES [?]:
CC(=O)N1CN(C=C1)C(=O)C
InChi [?]:
InChI=1/C7H10N2O2/c1-6(10)8-3-4-9(5-8)7(2)11/h3-4H,5H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,8,7,5,2,9,4,6,3,10/E:(1,2)(3,4)(6,7)(8,9)(10,11)/rA:11nCCONCNCCCOC/rB:s1;d2;s2;s4;s5;s6;s4d7;s6;d9;s9;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H10N2O2 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.63195 |
Area: | 316.37 |
Solvation: | -3.27731 |
Coulombic: | -27.4068 |
Bond Count [?]
All: | 11 |
Single: | 8 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 154.167 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | -0.3 |
LogP (Chemaxon): | -0.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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