SMILES:
O=C1N(c2cccnc2)CCN1c1ccc2scnc2c1Molecular Processing
Molecular formula
C15H12N4OS
Molecular weight
296.35
Exact mass
296.0732
XLogP
3.14
TPSA
49.33
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
21
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
83.95
Supplementary Information
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