SMILES:
N#Cc1cc(C=O)c(Cl)s1Molecular Processing
Molecular formula
C6H2ClNOS
Molecular weight
171.61
Exact mass
170.9546
XLogP
2.09
TPSA
40.86
H-bond donors
0
H-bond acceptors
3
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
39.43
Supplementary Information
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