SMILES:
C#C/C=C\C#CC1N(C(=O)Oc2ccccc2)c2ccc(OC)cc2C23OC12CCCC3=OMolecular Processing
Molecular formula
C27H21NO5
Molecular weight
439.47
Exact mass
439.142
XLogP
3.99
TPSA
68.37
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
33
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.259
Molar refractivity
121.83
Supplementary Information
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