SMILES:
O=C(Cc1ccc(C2CC2)cc1)N1CCC2(CC1)CN(C1CCc3cc(-c4ncccn4)ccc31)C2Molecular Processing
Molecular formula
C31H34N4O
Molecular weight
478.64
Exact mass
478.2733
XLogP
5.18
TPSA
49.33
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
36
Rings
7
Aromatic rings
3
Saturated rings
3
Aliphatic rings
4
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.452
Molar refractivity
140.47
Supplementary Information
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