SMILES:
O=C(O)c1ncc(Cl)cn1Molecular Processing
Molecular formula
C5H3ClN2O2
Molecular weight
158.54
Exact mass
157.9883
XLogP
0.83
TPSA
63.08
H-bond donors
1
H-bond acceptors
3
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
Molar refractivity
34
Supplementary Information
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