SMILES:
COc1ccc(C(C#N)C2(O)CCCCC2)cc1Molecular Processing
Molecular formula
C15H19NO2
Molecular weight
245.32
Exact mass
245.1416
XLogP
3
TPSA
53.25
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
69.38
Supplementary Information
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