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Chemical ID: 5177423
Chemical ID:
5177423
Name [?]:
[2-amino-3-(3H-imidazol-4-yl)propanoyl]oxonium
SMILES [?]:
c1c([nH]cn1)CC(C(=O)[OH2+])N
InChi [?]:
InChI=1/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1
InChi Info:
AuxInfo=1/1/N:6,1,4,2,7,8,11,5,3,9,10/E:(10,11)/rA:11cCCNCNCCCOO+N/rB:d1;s2;s3;s1d4;s2;s6;s7;d8;s8;s7;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H10N3O2+ |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | -37.77 |
Area: | 315.946 |
Solvation: | -45.6687 |
Coulombic: | -58.0934 |
Bond Count [?]
All: | 11 |
Single: | 8 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 156.163 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | -3.43 |
LogP (Chemaxon): | -3.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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