Chemical ID: 7403627

Cc1ncc(n1CC(C)O)[N+](=O)[O-]
Chemical ID:
7403627
Name [?]:
1-(2-methyl-5-nitro-imidazol-1-yl)propan-2-ol
SMILES [?]:
Cc1ncc(n1CC(C)O)[N+](=O)[O-]
InChi [?]:
InChI=1/C7H11N3O3/c1-5(11)4-9-6(2)8-3-7(9)10(12)13/h3,5,11H,4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:9,1,4,7,8,2,5,3,6,11,10,12,13/E:(12,13)/CRV:10.5/rA:13cCCNCCNCCCON+OO-/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;s8;s5;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H11N3O3
All Atoms:24
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:2.41292
Area:339.989
Solvation:-6.08681
Coulombic:-43.2276
Bond Count [?]
All:13
Single:10
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:185.181
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.19
LogP (Chemaxon):0.15

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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