SMILES:
CC1(C)NC(SCc2ccccn2)=NC1=SMolecular Processing
Molecular formula
C11H13N3S2
Molecular weight
251.38
Exact mass
251.0551
XLogP
2.38
TPSA
37.28
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
72.78
Supplementary Information
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