Name: product
SMILES:
COc1ccc(C2=NC(C)(C)CO2)c(CCc2ccccc2)c1OCMolecular Processing
Molecular formula
C21H25NO3
Molecular weight
339.44
Exact mass
339.1834
XLogP
4.04
TPSA
40.05
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
99.96
Supplementary Information
Details werden geladen…
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