SMILES:
CCn1cc(C#N)c2ccc(OC3CC3)cc21Molecular Processing
Molecular formula
C14H14N2O
Molecular weight
226.28
Exact mass
226.1106
XLogP
3.07
TPSA
37.95
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
17
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
65.98
Supplementary Information
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