SMILES:
COCCOCCOc1ccc2c(c1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=OMolecular Processing
Molecular formula
C24H24N2O4
Molecular weight
404.47
Exact mass
404.1736
XLogP
3.95
TPSA
84.34
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
113.21
Supplementary Information
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