SMILES:
COc1cc(-c2nc3ccccc3o2)ccc1C1(C#N)CCCCC1Molecular Processing
Molecular formula
C21H20N2O2
Molecular weight
332.4
Exact mass
332.1525
XLogP
5.23
TPSA
59.05
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
25
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
96.37
Supplementary Information
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