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Chemical ID: 4119824
Chemical ID:
4119824
Name [?]:
2-(1-hydroxyethyl)-1H-benzoimidazole-5-carboxylic acid
SMILES [?]:
CC(c1[nH]c2ccc(cc2n1)C(=O)O)O
InChi [?]:
InChI=1/C10H10N2O3/c1-5(13)9-11-7-3-2-6(10(14)15)4-8(7)12-9/h2-5,13H,1H3,(H,11,12)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,7,6,9,2,8,5,10,3,12,4,11,15,13,14/E:(14,15)/rA:15cCCCNCCCCCCNCOOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;d3s10;s8;d12;s12;s2;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H10N2O3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.8527 |
Area: | 375.58 |
Solvation: | -3.53679 |
Coulombic: | -60.1042 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 206.198 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 0.66 |
LogP (Chemaxon): | 0.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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