SMILES:
O=C(O)c1ccc(Cl)cn1Molecular Processing
Molecular formula
C6H4ClNO2
Molecular weight
157.56
Exact mass
156.9931
XLogP
1.43
TPSA
50.19
H-bond donors
1
H-bond acceptors
2
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
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
36.21
Supplementary Information
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