SMILES:
NCC=C1CCc2ccc3nc(CCCCc4ccccc4)oc3c21Molecular Processing
Molecular formula
C22H24N2O
Molecular weight
332.45
Exact mass
332.1889
XLogP
4.68
TPSA
52.05
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
25
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
102.45
Supplementary Information
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