SMILES:
N#CC(c1ccccc1)(c1ccccc1)[C@H]1CCCN(CCOc2ccccc2)C1Molecular Processing
Molecular formula
C27H28N2O
Molecular weight
396.53
Exact mass
396.2202
XLogP
5.29
TPSA
36.26
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.296
Molar refractivity
120.38
Supplementary Information
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