SMILES:
CCC1C(C)C(=O)CC23CCNC(Cc4ccc(OC)cc42)C13Molecular Processing
Molecular formula
C20H27NO2
Molecular weight
313.44
Exact mass
313.2042
XLogP
3.1
TPSA
38.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
23
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.65
Molar refractivity
90.84
Supplementary Information
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