SMILES:
COc1ccc(CCc2oc3ccc(C#N)cc3c2C(C)=O)cc1Molecular Processing
Molecular formula
C20H17NO3
Molecular weight
319.36
Exact mass
319.1208
XLogP
4.3
TPSA
63.23
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
91.34
Supplementary Information
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