이름: 4-[5-chloro-2-(difluoromethoxy)phenyl]-5-methoxypyridin-2(1H)-one
SMILES:
COc1c[nH]c(=O)cc1-c1cc(Cl)ccc1OC(F)FMolecular Processing
Molecular formula
C13H10ClF2NO3
Molecular weight
301.68
Exact mass
301.0317
XLogP
3.31
TPSA
51.32
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
70.69
Supplementary Information
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