COC(=O)c1cccc(C(C)(C#N)CC2CC2)c1
SMILES: COC(=O)c1cccc(C(C)(C#N)CC2CC2)c1

Molecular Processing

Molecular formula
C15H17NO2
Molecular weight
243.31
Exact mass
243.1259
XLogP
3.05
TPSA
50.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
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
0.467
Molar refractivity
68.09

Supplementary Information

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