SMILES:
COc1ccnc(C(=O)O)c1OCc1ccccc1Molecular Processing
Molecular formula
C14H13NO4
Molecular weight
259.26
Exact mass
259.0845
XLogP
2.37
TPSA
68.65
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
68.52
Supplementary Information
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