SMILES:
COc1ccnc(CSCCN)c1Molecular Processing
Molecular formula
C9H14N2OS
Molecular weight
198.29
Exact mass
198.0827
XLogP
1.28
TPSA
48.14
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
56.01
Supplementary Information
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