SMILES:
CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1Molecular Processing
Molecular formula
C22H23ClN6O
Molecular weight
422.92
Exact mass
422.1622
XLogP
4.27
TPSA
92.51
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
30
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
115.92
Supplementary Information
Details werden geladen…
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