SMILES:
N#CC1=Cc2cc(Cl)ccc2OC1Molecular Processing
Molecular formula
C10H6ClNO
Molecular weight
191.62
Exact mass
191.0138
XLogP
2.64
TPSA
33.02
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
50.54
Supplementary Information
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