SMILES:
O=C(NOCCO)c1cc2c(ncn2CC2CCCCO2)c(F)c1Nc1ccc(Br)cc1ClMolecular Processing
Molecular formula
C22H23BrClFN4O4
Molecular weight
541.81
Exact mass
540.0575
XLogP
4.56
TPSA
97.64
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
126.22
Supplementary Information
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