SMILES:
CCc1nc2cnc3ccc(OCc4ccccc4)cc3c2n1CC1CCOCC1Molecular Processing
Molecular formula
C25H27N3O2
Molecular weight
401.51
Exact mass
401.2103
XLogP
5.15
TPSA
49.17
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
30
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.36
Molar refractivity
118.73
Supplementary Information
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