Chemical ID: 4119824

CC(c1[nH]c2ccc(cc2n1)C(=O)O)O
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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Descriptor Annotations

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