CCOC(=O)Cc1ccc(C#Cc2ccc3c(c2)C(C)(C)CCN3C2CC2)cc1F
SMILES: CCOC(=O)Cc1ccc(C#Cc2ccc3c(c2)C(C)(C)CCN3C2CC2)cc1F

Molecular Processing

Molecular formula
C26H28FNO2
Molecular weight
405.51
Exact mass
405.2104
XLogP
4.98
TPSA
29.54
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.423
Molar refractivity
117.17

Supplementary Information

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