이름: 3,4-diethoxy-2-fluoro-6-(hydroxymethyl)benzonitrile
SMILES:
CCOc1cc(CO)c(C#N)c(F)c1OCCMolecular Processing
Molecular formula
C12H14FNO3
Molecular weight
239.25
Exact mass
239.0958
XLogP
1.99
TPSA
62.48
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
59.38
Supplementary Information
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