COc1ccc(OC)c2c(Nc3cc(O)c(Cl)cc3F)c(C#N)cnc12
SMILES: COc1ccc(OC)c2c(Nc3cc(O)c(Cl)cc3F)c(C#N)cnc12

Molecular Processing

Molecular formula
C18H13ClFN3O3
Molecular weight
373.77
Exact mass
373.0629
XLogP
4.37
TPSA
87.4
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
95.92

Supplementary Information

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