SMILES:
COc1ccc(F)c2c1CC(NC(=O)OCc1ccccc1)CO2Molecular Processing
Molecular formula
C18H18FNO4
Molecular weight
331.34
Exact mass
331.122
XLogP
3.06
TPSA
56.79
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
85.7
Supplementary Information
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