SMILES:
CCOC(=O)CC(=O)CC(O)C=Cc1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1Molecular Processing
Molecular formula
C27H26FNO4
Molecular weight
447.51
Exact mass
447.1846
XLogP
5.2
TPSA
76.49
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.296
Molar refractivity
125.03
Supplementary Information
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