SMILES:
Cc1ccc2nc(Cl)nc(NCC3(CN)COC3)c2c1Molecular Processing
Molecular formula
C14H17ClN4O
Molecular weight
292.77
Exact mass
292.1091
XLogP
1.98
TPSA
73.06
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
80.08
Supplementary Information
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