Name: product
SMILES:
c1cc2cc(-c3ccc(OC4CN5CCC4CC5)cc3)ccc2[nH]1Molecular Processing
Molecular formula
C21H22N2O
Molecular weight
318.42
Exact mass
318.1732
XLogP
4.31
TPSA
28.26
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
24
Rings
6
Aromatic rings
3
Saturated rings
3
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
97.31
Supplementary Information
Details werden geladen…
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