SMILES:
O=C(Nc1cccnc1)N1CCc2cc(Cl)c(Cl)cc21Molecular Processing
Molecular formula
C14H11Cl2N3O
Molecular weight
308.17
Exact mass
307.0279
XLogP
3.98
TPSA
45.23
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
80.77
Supplementary Information
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