SMILES:
COc1cc(Cl)nc(N)n1Molecular Processing
Molecular formula
C5H6ClN3O
Molecular weight
159.58
Exact mass
159.0199
XLogP
0.72
TPSA
61.03
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
38.01
Supplementary Information
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