SMILES:
COc1ccccc1C1(O)CC(CC#N)CC2CN(C(=O)C(C)c3ccccc3)CC21Molecular Processing
Molecular formula
C26H30N2O3
Molecular weight
418.54
Exact mass
418.2256
XLogP
4.08
TPSA
73.56
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
118.26
Supplementary Information
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