이름: 2-[2-methoxy-3-(2-fluorophenoxy)phenyl]acetonitrile
SMILES:
COc1c(CC#N)cccc1Oc1ccccc1FMolecular Processing
Molecular formula
C15H12FNO2
Molecular weight
257.26
Exact mass
257.0852
XLogP
3.69
TPSA
42.25
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
68.79
Supplementary Information
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