SMILES:
CCOCc1nc2c(Cl)nc3ccccc3c2n1CCN1C(C)=NOC12CCCC2Molecular Processing
Molecular formula
C22H26ClN5O2
Molecular weight
427.94
Exact mass
427.1775
XLogP
4.71
TPSA
64.77
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
30
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
117.47
Supplementary Information
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