이름: 3,5-dichlorophenylacetonitrile
SMILES:
N#CCc1cc(Cl)cc(Cl)c1Molecular Processing
Molecular formula
C8H5Cl2N
Molecular weight
186.04
Exact mass
184.9799
XLogP
3.06
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
45.78
Supplementary Information
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