SMILES:
CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CCO3)nc1Molecular Processing
Molecular formula
C21H21NO3
Molecular weight
335.4
Exact mass
335.1521
XLogP
3.72
TPSA
48.42
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
95.75
Supplementary Information
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