SMILES:
COc1ccc(C=O)cc1-c1ccc2oc(C)nc2c1Molecular Processing
Molecular formula
C16H13NO3
Molecular weight
267.28
Exact mass
267.0895
XLogP
3.62
TPSA
52.33
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
20
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
0.125
Molar refractivity
76.12
Supplementary Information
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