SMILES:
COC(=O)CC(O)CC(O)C=CC1=C(c2ccc(F)c(C)c2)CC(N2CCCC2)CC1(C)CMolecular Processing
Molecular formula
C27H38FNO4
Molecular weight
459.6
Exact mass
459.2785
XLogP
4.4
TPSA
70
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
33
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.593
Molar refractivity
128.07
Supplementary Information
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