SMILES:
C(=Cc1ccccc1OCCCn1ccnc1)c1nc2ccccc2o1Molecular Processing
Molecular formula
C21H19N3O2
Molecular weight
345.4
Exact mass
345.1477
XLogP
4.66
TPSA
53.08
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
26
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
101.72
Supplementary Information
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