SMILES:
Clc1cnc(N2CCC(C3CC3CCNc3ccc(-n4ccnn4)cn3)CC2)nc1Molecular Processing
Molecular formula
C21H25ClN8
Molecular weight
424.94
Exact mass
424.1891
XLogP
3.46
TPSA
84.65
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
30
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.476
Molar refractivity
115.84
Supplementary Information
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