COc1ccc2nc(CCl)sc2n1
SMILES: COc1ccc2nc(CCl)sc2n1

Molecular Processing

Molecular formula
C8H7ClN2OS
Molecular weight
214.68
Exact mass
213.9968
XLogP
2.44
TPSA
35.01
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
13
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
53.52

Supplementary Information

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