SMILES:
CC(c1ccc(-c2cc(Cl)ncn2)cc1)N1CCC(CCCO)(c2ccc(F)cc2)OC1=OMolecular Processing
Molecular formula
C25H25ClFN3O3
Molecular weight
469.94
Exact mass
469.1568
XLogP
5.51
TPSA
75.55
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.32
Molar refractivity
123.09
Supplementary Information
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