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Chemical ID: 7403627
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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