Name: 85
SMILES:
CCC(=O)c1cc(C)c(C)cc1C1CCN(C(=O)OC(C)(C)C)CC1Molecular Processing
Molecular formula
C21H31NO3
Molecular weight
345.48
Exact mass
345.2304
XLogP
5.01
TPSA
46.61
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.619
Molar refractivity
100.32
Supplementary Information
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