SMILES:
COc1ccc(C2C(CCC(O)c3ccc(O)cc3)C(=O)N2c2ccc(F)cc2)cc1Molecular Processing
Molecular formula
C25H24FNO4
Molecular weight
421.47
Exact mass
421.1689
XLogP
4.76
TPSA
70
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.24
Molar refractivity
115.41
Supplementary Information
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