SMILES:
Cc1cccnc1C1=CCN(C(=O)OC(C)(C)C)CC1Molecular Processing
Molecular formula
C16H22N2O2
Molecular weight
274.36
Exact mass
274.1681
XLogP
3.41
TPSA
42.43
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
79.38
Supplementary Information
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