SMILES:
Cc1csc(C2(c3nnc4n3CCCCC4)CCCC2)c1ClMolecular Processing
Molecular formula
C17H22ClN3S
Molecular weight
335.9
Exact mass
335.1223
XLogP
4.89
TPSA
30.71
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
22
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.647
Molar refractivity
90.89
Supplementary Information
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