SMILES:
ClC1=Nc2nc(C3CCCC3)[nH]c2C2=NC(Cc3ccccc3)CN12Molecular Processing
Molecular formula
C19H20ClN5
Molecular weight
353.86
Exact mass
353.1407
XLogP
3.98
TPSA
56.64
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
25
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.421
Molar refractivity
99.92
Supplementary Information
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