SMILES:
COc1cc2ncn(Cc3ccccc3)c(=O)c2cc1OC1CCC2(CC1)OCCO2Molecular Processing
Molecular formula
C24H26N2O5
Molecular weight
422.48
Exact mass
422.1842
XLogP
3.52
TPSA
71.81
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
31
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
115.62
Supplementary Information
Details werden geladen…
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