SMILES:
CC(O)c1ccncc1-c1cc2ccccc2o1Molecular Processing
Molecular formula
C15H13NO2
Molecular weight
239.27
Exact mass
239.0946
XLogP
3.55
TPSA
46.26
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
70.08
Supplementary Information
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