CC(C)C(C#N)c1ccccc1F
名称: title product
SMILES: CC(C)C(C#N)c1ccccc1F

Molecular Processing

Molecular formula
C11H12FN
Molecular weight
177.22
Exact mass
177.0954
XLogP
3.09
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
49.59

Supplementary Information

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