SMILES:
COc1ccc2nc3ccccc3c(C(=O)O)c2c1Molecular Processing
Molecular formula
C15H11NO3
Molecular weight
253.26
Exact mass
253.0739
XLogP
3.09
TPSA
59.42
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.067
Molar refractivity
72.76
Supplementary Information
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