SMILES:
CCCCCCCCC#Cc1cncc(OC[C@@H]2CCCN2C)c1Molecular Processing
Molecular formula
C21H32N2O
Molecular weight
328.5
Exact mass
328.2515
XLogP
4.66
TPSA
25.36
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
9
Heavy atoms
24
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
100.26
Supplementary Information
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