CCOC(C)Oc1ccc(C#N)cc1OC
SMILES: CCOC(C)Oc1ccc(C#N)cc1OC

Molecular Processing

Molecular formula
C12H15NO3
Molecular weight
221.26
Exact mass
221.1052
XLogP
2.33
TPSA
51.48
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
59.43

Supplementary Information

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