SMILES:
CCc1cnc(Cl)c(C=O)c1Molecular Processing
Molecular formula
C8H8ClNO
Molecular weight
169.61
Exact mass
169.0294
XLogP
2.11
TPSA
29.96
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
44.01
Supplementary Information
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