Название: 4-(adamantan-1-ylmethoxy)-3-bromobenzonitrile
SMILES:
N#Cc1ccc(OCC23CC4CC(CC(C4)C2)C3)c(Br)c1Molecular Processing
Molecular formula
C18H20BrNO
Molecular weight
346.27
Exact mass
345.0728
XLogP
4.92
TPSA
33.02
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
21
Rings
5
Aromatic rings
1
Saturated rings
4
Aliphatic rings
4
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
84.96
Supplementary Information
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