SMILES:
Cc1nnc(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2Cl)c1=OMolecular Processing
Molecular formula
C16H19ClFN5O
Molecular weight
351.81
Exact mass
351.1262
XLogP
1.72
TPSA
77.04
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
90.96
Supplementary Information
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