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Chemical ID: 6636258
Chemical ID:
6636258
Name [?]:
N-[2-(3H-imidazol-4-yl)ethyl]acetamide
SMILES [?]:
CC(=O)NCCc1cnc[nH]1
InChi [?]:
InChI=1/C7H11N3O/c1-6(11)9-3-2-7-4-8-5-10-7/h4-5H,2-3H2,1H3,(H,8,10)(H,9,11)
InChi Info:
AuxInfo=1/1/N:1,6,5,8,10,2,7,9,4,11,3/rA:11nCCONCCCCNCN/rB:s1;d2;s2;s4;s5;s6;d7;s8;d9;s7s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H11N3O |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.5252 |
Area: | 333.386 |
Solvation: | -2.80945 |
Coulombic: | -33.5443 |
Bond Count [?]
All: | 11 |
Single: | 8 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 153.182 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | -0.47 |
LogP (Chemaxon): | -1.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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