SMILES:
OCC1C2CN(Cc3ccc(-c4ccc5ncnc(Oc6ccccc6)c5c4)cc3)CC12Molecular Processing
Molecular formula
C27H25N3O2
Molecular weight
423.52
Exact mass
423.1947
XLogP
4.76
TPSA
58.48
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
32
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.259
Molar refractivity
124.32
Supplementary Information
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