SMILES:
COC(=O)COc1ccc(OCC=C(c2ccc(C)cc2)c2ccc(C#Cc3ccccn3)cc2)cc1CMolecular Processing
Molecular formula
C33H29NO4
Molecular weight
503.6
Exact mass
503.2097
XLogP
6.16
TPSA
57.65
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
38
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.152
Molar refractivity
149.1
Supplementary Information
Details werden geladen…
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