COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(F)c1C1CN(CCO)C1
SMILES: COc1c(C(C)n2nc(C(F)F)c3c(N)ncnc32)cc(Cl)c(F)c1C1CN(CCO)C1

Molecular Processing

Molecular formula
C20H22ClF3N6O2
Molecular weight
470.88
Exact mass
470.1445
XLogP
3.15
TPSA
102.32
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.45
Molar refractivity
112.73

Supplementary Information

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