SMILES:
Oc1cnc(Cl)c2ccccc12Molecular Processing
Molecular formula
C9H6ClNO
Molecular weight
179.61
Exact mass
179.0138
XLogP
2.59
TPSA
33.12
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
12
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
48.42
Supplementary Information
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