Название: compound 1I
SMILES:
O=C(OC1CCC2C(=O)NCC12)c1ccccc1Molecular Processing
Molecular formula
C14H15NO3
Molecular weight
245.28
Exact mass
245.1052
XLogP
1.37
TPSA
55.4
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
64.87
Supplementary Information
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