SMILES:
COc1ccc(-c2cccnc2)c(C(=O)O)c1Molecular Processing
Molecular formula
C13H11NO3
Molecular weight
229.23
Exact mass
229.0739
XLogP
2.46
TPSA
59.42
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
63.18
Supplementary Information
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