SMILES:
N#Cc1nc(O)c(-c2cccc(Cl)c2)nc1C#NMolecular Processing
Molecular formula
C12H5ClN4O
Molecular weight
256.65
Exact mass
256.0152
XLogP
2.25
TPSA
93.59
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0
Molar refractivity
63.57
Supplementary Information
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