Name: 5-(2-Methoxy-3-amino-phenyl)-2-methyl-furan-3-carboxylic acid
SMILES:
COc1c(N)cccc1-c1cc(C(=O)O)c(C)o1Molecular Processing
Molecular formula
C13H13NO4
Molecular weight
247.25
Exact mass
247.0845
XLogP
2.54
TPSA
85.69
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
18
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
0.154
Molar refractivity
66.8
Supplementary Information
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