CC1SC(=O)NN=C1c1ccc(Cl)c([N+](=O)[O-])c1
Name: 5-(4-chloro-3-nitrophenyl)-6-methyl-3,6-dihydro-2H-1,3,4-thiadiazin-2-one
SMILES: CC1SC(=O)NN=C1c1ccc(Cl)c([N+](=O)[O-])c1

Molecular Processing

Molecular formula
C10H8ClN3O3S
Molecular weight
285.71
Exact mass
284.9975
XLogP
2.8
TPSA
84.6
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
70.23

Supplementary Information

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