SMILES:
Oc1ccc(Cl)nn1Molecular Processing
Molecular formula
C4H3ClN2O
Molecular weight
130.53
Exact mass
129.9934
XLogP
0.84
TPSA
46.01
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
8
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
28.71
Supplementary Information
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