SMILES:
Cl.Cl.Cl.N=C(N)C(=N)NCCSCc1csc(CN2CCCCC2)c1Molecular Processing
Molecular formula
C15H28Cl3N5S2
Molecular weight
448.92
Exact mass
447.0852
XLogP
3.74
TPSA
88.99
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
4
Fraction Csp3
0.6
Molar refractivity
119
Supplementary Information
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