SMILES:
COC(=O)COc1cccc2c1cc(C1CC1)n2Cc1ccccc1Molecular Processing
Molecular formula
C21H21NO3
Molecular weight
335.4
Exact mass
335.1521
XLogP
4.12
TPSA
40.46
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
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
0.286
Molar refractivity
96.97
Supplementary Information
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