SMILES:
COc1ccc(C(=O)CCCCCCCCCCC#N)cc1OCMolecular Processing
Molecular formula
C20H29NO3
Molecular weight
331.46
Exact mass
331.2147
XLogP
5.31
TPSA
59.32
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
13
Heavy atoms
24
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
95.66
Supplementary Information
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