Name: 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)-1H-imidazole-4-carboxylic acid
SMILES:
Cc1ccc(-c2nc(C(=O)O)cn2-c2ccc3c(c2)OCCO3)cc1Molecular Processing
Molecular formula
C19H16N2O4
Molecular weight
336.35
Exact mass
336.111
XLogP
3.32
TPSA
73.58
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
25
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.158
Molar refractivity
91.69
Supplementary Information
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