SMILES:
O=C(O)c1cc(Cl)on1Molecular Processing
Molecular formula
C4H2ClNO3
Molecular weight
147.52
Exact mass
146.9723
XLogP
1.03
TPSA
63.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
9
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
28.47
Supplementary Information
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