SMILES:
O=C(Nc1cccnc1)N1CCc2cc(Cl)ccc21Molecular Processing
Molecular formula
C14H12ClN3O
Molecular weight
273.72
Exact mass
273.0669
XLogP
3.33
TPSA
45.23
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
75.76
Supplementary Information
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