SMILES:
CCOCc1nc2cnc3cc(OCc4ccccc4)ccc3c2n1CC1CCOCC1Molecular Processing
Molecular formula
C26H29N3O3
Molecular weight
431.54
Exact mass
431.2209
XLogP
5.13
TPSA
58.4
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
32
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
124.68
Supplementary Information
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