SMILES:
O=S1CCC2=C1C=NC(Cl)N2NC1(CO)CC1Molecular Processing
Molecular formula
C10H14ClN3O2S
Molecular weight
275.76
Exact mass
275.0495
XLogP
0.29
TPSA
64.93
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
17
Rings
3
Aromatic rings
0
Saturated rings
1
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.7
Molar refractivity
66.81
Supplementary Information
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