Nombre: 4-(adamantan-2-ylmethoxy)-3-cyclopropylbenzonitrile
SMILES:
N#Cc1ccc(OCC2C3CC4CC(C3)CC2C4)c(C2CC2)c1Molecular Processing
Molecular formula
C21H25NO
Molecular weight
307.44
Exact mass
307.1936
XLogP
4.89
TPSA
33.02
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
23
Rings
6
Aromatic rings
1
Saturated rings
5
Aliphatic rings
5
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
89.16
Supplementary Information
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