SMILES:
CCCCSC(Cn1cncn1)c1ccc(Cl)cc1ClMolecular Processing
Molecular formula
C14H17Cl2N3S
Molecular weight
330.28
Exact mass
329.052
XLogP
4.86
TPSA
30.71
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
86.59
Supplementary Information
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