CC(=O)O.CC(=O)OCC1(C)OCCc2c1[nH]c1ccccc21
SMILES: CC(=O)O.CC(=O)OCC1(C)OCCc2c1[nH]c1ccccc21

Molecular Processing

Molecular formula
C17H21NO5
Molecular weight
319.36
Exact mass
319.142
XLogP
2.61
TPSA
88.62
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.412
Molar refractivity
85.25

Supplementary Information

Details werden geladen…

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