SMILES:
COc1nnc(C2CCC(C)CC2)cc1CMolecular Processing
Molecular formula
C13H20N2O
Molecular weight
220.32
Exact mass
220.1576
XLogP
3.09
TPSA
35.01
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.692
Molar refractivity
63.69
Supplementary Information
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