SMILES:
CNc1ncc2cc(-c3cnc4c(n3)N(Cc3c(F)ccc(F)c3Cl)CCCN4)ccc2n1Molecular Processing
Molecular formula
C23H20ClF2N7
Molecular weight
467.91
Exact mass
467.1437
XLogP
4.88
TPSA
78.86
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
33
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.217
Molar refractivity
125.64
Supplementary Information
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