名称: 5.2
SMILES:
O=C(c1ccc(OC2CCCCO2)cc1)c1cnco1Molecular Processing
Molecular formula
C15H15NO4
Molecular weight
273.29
Exact mass
273.1001
XLogP
2.81
TPSA
61.56
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
70.6
Supplementary Information
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