SMILES:
CCn1cnc(-c2ccccc2)c1-c1cc2c(SC)ncnc2s1Molecular Processing
Molecular formula
C18H16N4S2
Molecular weight
352.49
Exact mass
352.0816
XLogP
4.96
TPSA
43.6
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
24
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
101.53
Supplementary Information
Récupération des détails…
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