N#CC(C(N)=O)=C1Cc2ccc(Cl)cc2SN1
SMILES: N#CC(C(N)=O)=C1Cc2ccc(Cl)cc2SN1

Molecular Processing

Molecular formula
C11H8ClN3OS
Molecular weight
265.72
Exact mass
265.0077
XLogP
1.76
TPSA
78.91
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.091
Molar refractivity
65.98

Supplementary Information

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