Name: methyl 2-aminobenzimidazole-5-carboxylate
SMILES:
COC(=O)c1ccc2nc(N)[nH]c2c1Molecular Processing
Molecular formula
C9H9N3O2
Molecular weight
191.19
Exact mass
191.0695
XLogP
0.93
TPSA
81
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
51.85
Supplementary Information
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