SMILES:
Cc1cnnc2c1C(=NNC(=N)N)CC(c1cc(Cl)ccc1F)C2.ClMolecular Processing
Molecular formula
C16H17Cl2FN6
Molecular weight
383.26
Exact mass
382.0876
XLogP
2.92
TPSA
100.04
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.25
Molar refractivity
98.08
Supplementary Information
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