COc1ccc(C(=CC#N)c2ccc(OC)c(OC)c2)cc1
SMILES: COc1ccc(C(=CC#N)c2ccc(OC)c(OC)c2)cc1

Molecular Processing

Molecular formula
C18H17NO3
Molecular weight
295.34
Exact mass
295.1208
XLogP
3.67
TPSA
51.48
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
85.23

Supplementary Information

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