SMILES:
C(#Cc1cnc2ccccc2c1)CCN1CCN(c2ccccn2)CC1Molecular Processing
Molecular formula
C22H22N4
Molecular weight
342.45
Exact mass
342.1844
XLogP
3.19
TPSA
32.26
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
26
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
106.13
Supplementary Information
Récupération des détails…
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