SMILES:
Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCNCC1Molecular Processing
Molecular formula
C28H36N4
Molecular weight
428.62
Exact mass
428.294
XLogP
5.22
TPSA
33.09
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
32
Rings
6
Aromatic rings
3
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.536
Molar refractivity
131.1
Supplementary Information
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