SMILES:
Cl.NCCSCc1cnccn1Molecular Processing
Molecular formula
C7H12ClN3S
Molecular weight
205.71
Exact mass
205.044
XLogP
1.09
TPSA
51.8
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.429
Molar refractivity
54.5
Supplementary Information
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