SMILES:
N#Cc1ccc(C(=O)CCl)cc1Molecular Processing
Molecular formula
C9H6ClNO
Molecular weight
179.61
Exact mass
179.0138
XLogP
1.98
TPSA
40.86
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
12
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
0.111
Molar refractivity
46.21
Supplementary Information
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