SMILES:
COc1ccc2nc(Nc3ccc(OCCN4CCCC4)cc3)nn2c1-c1ccc2c(c1)OCCO2Molecular Processing
Molecular formula
C27H29N5O4
Molecular weight
487.56
Exact mass
487.222
XLogP
4.39
TPSA
82.38
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
36
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
136.86
Supplementary Information
Details werden geladen…
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