SMILES:
CNC(=S)C1(c2ccc(Cl)nc2)CCCCC1=OMolecular Processing
Molecular formula
C13H15ClN2OS
Molecular weight
282.8
Exact mass
282.0594
XLogP
2.66
TPSA
41.99
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
76.06
Supplementary Information
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