Nombre: 4-(1-adamantyloxy)-3-chloroaniline
SMILES:
Nc1ccc(OC23CC4CC(CC(C4)C2)C3)c(Cl)c1Molecular Processing
Molecular formula
C16H20ClNO
Molecular weight
277.79
Exact mass
277.1233
XLogP
4.27
TPSA
35.25
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
19
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
0.625
Molar refractivity
77.4
Supplementary Information
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