SMILES:
Cc1nnc(NCCNC2CCC3CCC2C3)c2cc3ccccn3c12Molecular Processing
Molecular formula
C21H27N5
Molecular weight
349.48
Exact mass
349.2266
XLogP
3.77
TPSA
54.25
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
26
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.524
Molar refractivity
105.58
Supplementary Information
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