N#Cc1cc(CO)c(Cl)s1
SMILES: N#Cc1cc(CO)c(Cl)s1

Molecular Processing

Molecular formula
C6H4ClNOS
Molecular weight
173.62
Exact mass
172.9702
XLogP
1.77
TPSA
44.02
H-bond donors
1
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
0.167
Molar refractivity
39.97

Supplementary Information

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