SMILES:
NCc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)cc1OMolecular Processing
Molecular formula
C25H27N5O
Molecular weight
413.53
Exact mass
413.2216
XLogP
4.2
TPSA
91.06
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
31
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.28
Molar refractivity
121.25
Supplementary Information
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