SMILES:
CCC(C)(C)c1cc(N)c(O)c(C(C)(C)CC)c1Molecular Processing
Molecular formula
C16H27NO
Molecular weight
249.4
Exact mass
249.2093
XLogP
4.35
TPSA
46.25
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
79.15
Supplementary Information
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