SMILES:
CC[C@H](C)CCCCCOc1ccc(C#N)cc1Molecular Processing
Molecular formula
C16H23NO
Molecular weight
245.37
Exact mass
245.178
XLogP
4.54
TPSA
33.02
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
8
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
74.58
Supplementary Information
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