SMILES:
N#Cc1cccc(Cn2c(-c3ccc(Cl)cc3OCC3CCCC3)nc3cc(F)c(F)cc32)c1Molecular Processing
Molecular formula
C27H22ClF2N3O
Molecular weight
477.94
Exact mass
477.1419
XLogP
7.12
TPSA
50.84
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
34
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.259
Molar refractivity
127.81
Supplementary Information
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