SMILES:
CCCOC(=O)C1=CNC(CC)Cc2c1[nH]c1ccccc21Molecular Processing
Molecular formula
C18H22N2O2
Molecular weight
298.39
Exact mass
298.1681
XLogP
3.39
TPSA
54.12
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.389
Molar refractivity
88.44
Supplementary Information
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