CCOC(=O)Cc1ccc(C#Cc2ccc3c(c2)C(C)(C)CCC3NC2CC2)cc1F
SMILES: CCOC(=O)Cc1ccc(C#Cc2ccc3c(c2)C(C)(C)CCC3NC2CC2)cc1F

Molecular Processing

Molecular formula
C27H30FNO2
Molecular weight
419.54
Exact mass
419.2261
XLogP
5.2
TPSA
38.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
120.32

Supplementary Information

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