SMILES:
C=CCNc1nc(Nc2ccc(C#N)c(OCC=C)c2)nc2c1CCC2c1ccc(F)cc1Molecular Processing
Molecular formula
C26H24FN5O
Molecular weight
441.51
Exact mass
441.1965
XLogP
5.47
TPSA
82.86
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.192
Molar refractivity
127.41
Supplementary Information
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