이름: (6-fluoro-benzo[1,3]dioxol-5-yl)-acetonitrile
SMILES:
N#CCc1cc2c(cc1F)OCO2Molecular Processing
Molecular formula
C9H6FNO2
Molecular weight
179.15
Exact mass
179.0383
XLogP
1.62
TPSA
42.25
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
41.84
Supplementary Information
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