SMILES:
COC(=O)c1ccc2c(c1)[C@H](NC(=O)CC(C)C(C)C)CC2Molecular Processing
Molecular formula
C18H25NO3
Molecular weight
303.4
Exact mass
303.1834
XLogP
3.26
TPSA
55.4
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
85.61
Supplementary Information
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