Chemical ID: 6708107

Cc1[nH+]cc(n1CCO)[N+](=O)[O-]
Chemical ID:
6708107
Name [?]:
2-(2-methyl-5-nitro-3H-imidazol-1-yl)ethanol
SMILES [?]:
Cc1[nH+]cc(n1CCO)[N+](=O)[O-]
InChi [?]:
InChI=1/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,7,8,4,2,5,3,6,10,9,11,12/E:(11,12)/CRV:9.5/rA:12nCCN+CCNCCON+OO-/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;s5;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H10N3O3+
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:-39.8613
Area:327.293
Solvation:-48.0437
Coulombic:-15.4081
Bond Count [?]
All:12
Single:9
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:172.162
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.2
LogP (Chemaxon):-0.26

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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