Name: Compound 1b
SMILES:
CC(C)(C)OC(=O)N1CCC2(CC1)CC(C#Cc1ccccc1)=NO2Molecular Processing
Molecular formula
C20H24N2O3
Molecular weight
340.42
Exact mass
340.1787
XLogP
3.58
TPSA
51.13
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
25
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
96.23
Supplementary Information
Details werden geladen…
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