SMILES:
COc1cc2c(cc1N)CCN(CCO)CC2Molecular Processing
Molecular formula
C13H20N2O2
Molecular weight
236.31
Exact mass
236.1525
XLogP
0.67
TPSA
58.72
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
17
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
0.538
Molar refractivity
68.34
Supplementary Information
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