SMILES:
Cc1cccc(C(C(O)C(C)(C)C)n2ccnc2)c1Molecular Processing
Molecular formula
C16H22N2O
Molecular weight
258.37
Exact mass
258.1732
XLogP
3.19
TPSA
38.05
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
77.01
Supplementary Information
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