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Chemical ID: 6710033
Chemical ID:
6710033
Name [?]:
1-(1,3-dihydrobenzoimidazol-2-yl)ethanol
SMILES [?]:
CC(c1[nH]c2ccccc2[nH+]1)O
InChi [?]:
InChI=1/C9H10N2O/c1-6(12)9-10-7-4-2-3-5-8(7)11-9/h2-6,12H,1H3,(H,10,11)/p+1
InChi Info:
AuxInfo=1/1/N:1,7,8,6,9,2,5,10,3,4,11,12/E:(2,3)(4,5)(7,8)(10,11)/rA:12cCCCNCCCCCCN+O/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;d3s10;s2;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H11N2O+ |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | -21.648 |
Area: | 322.738 |
Solvation: | -29.7164 |
Coulombic: | -26.9762 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 163.197 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 1.2 |
LogP (Chemaxon): | 1.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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