SMILES:
CN1CCCCC1CCn1ccc2cc(NC(=N)c3cccs3)ccc21Molecular Processing
Molecular formula
C21H26N4S
Molecular weight
366.53
Exact mass
366.1878
XLogP
5.01
TPSA
44.05
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
26
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
111.59
Supplementary Information
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