Chemical ID: 6693684

Cc1ncc(n1CCO)N(=O)=O
Chemical ID:
6693684
Name [?]:
2-(2-methyl-5-nitro-imidazol-1-yl)ethanol
SMILES [?]:
Cc1ncc(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
InChi Info:
AuxInfo=1/0/N:1,7,8,4,2,5,3,6,10,9,11,12/E:(11,12)/CRV:9.5/rA:12nCCNCCNCCONOO/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;s5;d10;d10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H9N3O3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:0.977579
Area:327.293
Solvation:-7.20475
Coulombic:-42.112
Bond Count [?]
All:12
Single:8
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:171.154
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:-0.14
LogP (Chemaxon):-0.26

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