SMILES:
OC1C(CCl)OC(n2cnc3c(NC4CCCC4OCc4ccccc4)ncnc32)C1OMolecular Processing
Molecular formula
C22H26ClN5O4
Molecular weight
459.93
Exact mass
459.1673
XLogP
2.23
TPSA
114.55
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
32
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
118.25
Supplementary Information
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