SMILES:
Cc1ccnc2c1C(=NNC(=N)N)CC(c1cc(F)ccc1Cl)C2Molecular Processing
Molecular formula
C17H17ClFN5
Molecular weight
345.81
Exact mass
345.1157
XLogP
3.1
TPSA
87.15
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
93.03
Supplementary Information
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