SMILES:
COc1cc(C#N)ccc1OCC1CCOCC1Molecular Processing
Molecular formula
C14H17NO3
Molecular weight
247.29
Exact mass
247.1208
XLogP
2.37
TPSA
51.48
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
66.75
Supplementary Information
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