SMILES:
Cc1ccnc2c1C(=NNC(=N)N)CC(c1cc(F)ccc1Cl)C2.O=C1CC[C@@H](C(=O)O)N1Molecular Processing
Molecular formula
C22H24ClFN6O3
Molecular weight
474.92
Exact mass
474.1582
XLogP
2.45
TPSA
153.55
H-bond donors
5
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
33
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.318
Molar refractivity
121.83
Supplementary Information
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