SMILES:
COc1cc(-c2nc3ccccc3o2)ccc1C1(C#N)CCCC1Molecular Processing
Molecular formula
C20H18N2O2
Molecular weight
318.38
Exact mass
318.1368
XLogP
4.84
TPSA
59.05
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
24
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
0.3
Molar refractivity
91.76
Supplementary Information
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