SMILES:
CC1CCN(CCOc2ccc(C#Cc3ccc(-c4ccc(Cl)cc4)cn3)cc2C(C)O)CC1Molecular Processing
Molecular formula
C29H31ClN2O2
Molecular weight
475.03
Exact mass
474.2074
XLogP
5.97
TPSA
45.59
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.345
Molar refractivity
138.07
Supplementary Information
Details werden geladen…
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