Chemical ID: 4119325

Cc1[nH]c2cc(ccc2n1)C(=O)O
Chemical ID:
4119325
Name [?]:
2-methyl-3H-benzoimidazole-5-carboxylic acid
SMILES [?]:
Cc1[nH]c2cc(ccc2n1)C(=O)O
InChi [?]:
InChI=1/C9H8N2O2/c1-5-10-7-3-2-6(9(12)13)4-8(7)11-5/h2-4H,1H3,(H,10,11)(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,7,8,5,2,6,9,4,11,10,3,12,13/E:(12,13)/rA:13nCCNCCCCCCNCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;d2s9;s6;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8N2O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.3125
Area:334.871
Solvation:-2.05928
Coulombic:-42.831
Bond Count [?]
All:14
Single:9
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:176.172
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.17
LogP (Chemaxon):-0.32

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