SMILES:
COc1cc(N2CCN(C)CC2)c2oc(C(=O)O)cc(=O)c2c1Molecular Processing
Molecular formula
C16H18N2O5
Molecular weight
318.33
Exact mass
318.1216
XLogP
1.25
TPSA
83.22
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
85.71
Supplementary Information
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