SMILES:
CCCN(CCC)[C@@H]1Cc2c(-c3ccco3)ccc3c2[C@H](CN3)C1Molecular Processing
Molecular formula
C21H28N2O
Molecular weight
324.47
Exact mass
324.2202
XLogP
4.89
TPSA
28.41
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
24
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.524
Molar refractivity
99.64
Supplementary Information
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