SMILES:
Cc1ccc(-n2nccc2C(O)C(C)C)cc1Molecular Processing
Molecular formula
C14H18N2O
Molecular weight
230.31
Exact mass
230.1419
XLogP
2.87
TPSA
38.05
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
68.1
Supplementary Information
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